Please upgrade!
Name Installed Version Current version
minfx True 1.0.4 1.0.12
relax information:
Version: 2.2.5 4.0.2
2016-09-19 19:41 GMT+02:00 Mahdi, Sam <sam.mahdi....@my.csun.edu>:
> Hi Troels,
>
> I have uploaded the bug report for the issue with running relax on
> multiple processors on my fedora 20 computer. I will upload the mpirun
> report bindings on the fedora 24 computer later today (that is not my lab
> so I don't have access to it, and the professor is not in yet). If there is
> any more info that is needed please let me know. Thanks again in advance.
>
> Sincerely,
> Sam
>
> On Mon, Sep 19, 2016 at 10:24 AM, Mahdi, Sam <sam.mahdi....@my.csun.edu>
> wrote:
>
>> Hi Troels,
>>
>> Thanks for the quick response!
>>
>> Protein 1: I will attempt to troubleshoot using the advice you gave me.
>> The problem occurs write after it indicates its writing a file for prolate
>> round_3 (so its about to start it). I will run it again and post the output
>> to give you a better idea. I'm pretty sure the output was something like
>> this
>> Over-fit spin deselection:
>> No spins have been deselected.
>> Resetting the minimisation statistics.
>> But I will double check and send you another email with the actual
>> output.
>> Protein 2:
>> I am using the sample script for dAuvergene protocol. So the only thing
>> I've changed since my previous run (the one that worked that you wrote a
>> tutorial for), was the pdb file and the data set I used. The thing I
>> suspected was causing an issue ,was the pdb file since I slightly modified
>> it, and thats really the only thing different from this run versus the
>> others.
>>
>> Also side note, if I were to deselect the spins that I don't have data
>> for or I have bad data for, that wouldn't change any of the calculations
>> correct? I never have since I assumed relax would just ignore all the amino
>> acids I don't have data for, but it may help increase the speed of my
>> calculations if I just tell relax to just ignore the spins from the start.
>>
>> Sincerely,
>> Sam
>>
>> On Mon, Sep 19, 2016 at 9:12 AM, Troels Emtekær Linnet <
>> tlin...@nmr-relax.com> wrote:
>>
>>> Hi Sam.
>>>
>>> Happy to hear you that you get some progress.
>>>
>>> Protein 1:
>>> Can you help me to find out, if you are minimizing or running
>>> Monte-Carlo simulations?
>>> This COULD be the problem:
>>>
>>> How relax works (at least how it works for relaxation dispersion):
>>> Step 1: Minimize the error for the target function. Find the parameters
>>> which best match the target function to the data, by minimizing the error.
>>> Here each individual spin minimization is handed out to a processor for
>>> calculation.
>>>
>>> Step 2: Determine the error of the minimization by monte carlo
>>> simulations.
>>> Create (Standard 500) additional datasets with a copy from the original.
>>> Modify each datapoint by an error, drawn from a gaussian distribution where
>>> the width is described by the error of measurements.
>>> Now hand out each of the datasets to the processor. Each processor
>>> should now calculate the minimization for all the spins. The minimization
>>> should be more quick, as the starting position is chosen from Step 1.
>>>
>>> Possible problem: One (or more) of the spins has really bad data. So a
>>> little change of the data makes the minimization space very different.
>>> Think of a flat table. Where should the "minimization ball" run into?
>>> Maybe you have created a small new bump in the table. This is typically for
>>> "bad" data.
>>>
>>> This could either be the measurement OR the error estimation. Relax will
>>> keep on searching for minimization.
>>> If you are "unlucky", some of the created datasets will make relax hang
>>> for a very long time.
>>>
>>> Unfortunately, it is NOT possible to ask a processor about its "current"
>>> work, when it is doing a minimization for a whole dataset.
>>> And if it was, it would create an output of 64 spins being minimized at
>>> the same time, creating a big mess, since the processors are working alone.
>>> When doing Monte-Carlo simulations, relax are quite silent. Only reporting
>>> when a whole dataset is done.
>>>
>>> Is relax stuck in Monte-Carlo simulations?
>>>
>>> Possible solution:
>>> *) Set Monte-Carlo simulations to 3 (which is minimum), and know that
>>> you have found the right minimum, but the error estimation of the
>>> parameters are wrong.
>>> *) Carefully inspect your data, deselecting all spins which have "bad
>>> data". Look at their graphs. Consider working with as few spins as
>>> possible, and work your way up! Working this way will greatly increase your
>>> productivity.
>>>
>>> Protein 2:
>>> Are you setting the bonds for the minimization manually?
>>> This looks like the upper/lower bonds are specified wrong. This is not
>>> easy to do. How are you doing it?
>>>
>>> Best
>>> Troels
>>>
>>>
>>>
>>>
>>> 2016-09-19 17:11 GMT+02:00 Mahdi, Sam <sam.mahdi....@my.csun.edu>:
>>>
>>>> Hi Troels,
>>>>
>>>> I have successfully been able to run the model-free analysis on 64
>>>> cores. The issue appears to have been I simply did not specify the spin
>>>> number, so after looking at your tutorial and making the proper
>>>> modifications, it ran with no complications. The results are somewhat
>>>> reasonable. I decided to try to run 2 other proteins however; and I've come
>>>> across problems for both again.
>>>> Protein 1:
>>>> I set this up just like the tutorial, and it runs with no warnings or
>>>> errors; however, the run never finishes. At round_3 for the prolate model
>>>> when it starts to minimize it just stops. I don't mean relax is stopped or
>>>> closed, I mean it stops doing any calculations. Relax is still open, and if
>>>> I run the top command, I can still see something is going on with the other
>>>> cores, but nothing is being calculated. The run with 64 cores is incredibly
>>>> fast (under 4 hours), so I don't think it's loading calculations or writing
>>>> them, and I've left it there for over 24 hours, and it's still just sorta
>>>> stuck. There are no errors, no outputs, it just says its gonna start to
>>>> minimize and then nothing happens after that.
>>>> Protein2:
>>>> This protein was a little different since the pdb structure was a
>>>> crystal structure. I had to use WhatIf to add the protons onto the pdb
>>>> file. The structure appears to load up fine, all the spins appear to be
>>>> read, data is loaded, vectors and are calculated and define, but when I
>>>> came to run the protocol this error pops up:
>>>> File "/home/sam2/relax-4.0.2/multi/processor.py", line 494, in run
>>>> self.callback.init_master(self)
>>>> File "/home/sam2/relax-4.0.2/multi/__init__.py", line 318, in
>>>> default_init_master
>>>> self.master.run()
>>>> File "/home/sam2/relax-4.0.2/relax.py", line 199, in run
>>>> self.interpreter.run(self.script_file)
>>>> File "/home/sam2/relax-4.0.2/prompt/interpreter.py", line 279, in run
>>>> return run_script(intro=self.__intro_string, local=locals(),
>>>> script_file=script_file, show_script=self.__show_script,
>>>> raise_relax_error=self.__raise_relax_error)
>>>> File "/home/sam2/relax-4.0.2/prompt/interpreter.py", line 585, in
>>>> run_script
>>>> return console.interact(intro, local, script_file,
>>>> show_script=show_script, raise_relax_error=raise_relax_error)
>>>> File "/home/sam2/relax-4.0.2/prompt/interpreter.py", line 484, in
>>>> interact_script
>>>> exec_script(script_file, local)
>>>> File "/home/sam2/relax-4.0.2/prompt/interpreter.py", line 363, in
>>>> exec_script
>>>> runpy.run_module(module, globals)
>>>> File "/usr/lib64/python2.7/runpy.py", line 192, in run_module
>>>> fname, loader, pkg_name)
>>>> File "/usr/lib64/python2.7/runpy.py", line 72, in _run_code
>>>> exec code in run_globals
>>>> File "/home/sam2/relax-4.0.2/HdeA_script.py", line 30, in <module>
>>>> dAuvergne_protocol(pipe_name=name,pipe_bundle=pipe_bundle,di
>>>> ff_model=DIFF_MODEL,mf_models=MF_MODELS,local_tm_models=LOCA
>>>> L_TM_MODELS,grid_inc=GRID_INC,min_algor=MIN_ALGOR,mc_sim_num
>>>> =MC_NUM,conv_loop=CONV_LOOP)
>>>> File "/home/sam2/relax-4.0.2/auto_analyses/dauvergne_protocol.py",
>>>> line 246, in __init__
>>>> self.execute()
>>>> File "/home/sam2/relax-4.0.2/auto_analyses/dauvergne_protocol.py",
>>>> line 600, in execute
>>>> self.multi_model(local_tm=True)
>>>> File "/home/sam2/relax-4.0.2/auto_analyses/dauvergne_protocol.py",
>>>> line 888, in multi_model
>>>> self.interpreter.minimise.grid_search(inc=self.grid_inc)
>>>> File "/home/sam2/relax-4.0.2/prompt/uf_objects.py", line 225, in
>>>> __call__
>>>> self._backend(*new_args, **uf_kargs)
>>>> File "/home/sam2/relax-4.0.2/pipe_control/minimise.py", line 172, in
>>>> grid_search
>>>> model_lower, model_upper, model_inc = grid_setup(lower, upper, inc,
>>>> verbosity=verbosity, skip_preset=skip_preset)
>>>> File "/home/sam2/relax-4.0.2/pipe_control/minimise.py", line 341, in
>>>> grid_setup
>>>> elif values[i] in [None, {}, []]:
>>>> IndexError: index 0 is out of bounds for axis 0 with size 0
>>>> I should mention this error pops up when it decided to calculate the
>>>> first spins upper and lower bounds. So this isn't at the minimization
>>>> portion of the calculation (like in the previous bug). Thanks in advance.
>>>>
>>>> Sincerely,
>>>> Sam
>>>>
>>>> On Wed, Sep 14, 2016 at 6:34 AM, Troels Emtekær Linnet <
>>>> tlin...@nmr-relax.com> wrote:
>>>>
>>>>> Hi Sam.
>>>>>
>>>>> To tackle this problem, I would advice to create another bug.
>>>>> Creation and closing of a bug "leaves trails", which maybe will help
>>>>> another person, when googling for the same problem.
>>>>>
>>>>> To help you, can you do a "relax -i" on both computers?
>>>>> That give some indication about package versions and computer setup.
>>>>>
>>>>> The first thing we need to establish, is that mpirun is working.
>>>>> We have to test the installation without relax.
>>>>>
>>>>> Can you have a look at:
>>>>> http://wiki.nmr-relax.com/OpenMPI
>>>>>
>>>>> Try the different things like:
>>>>> lscpu
>>>>> mpirun --report-bindings -np 11 echo "hello world"
>>>>> mpirun --report-bindings -np 4 relax --multi='mpi4py'
>>>>>
>>>>> When we are confident about this, then we will try make a small test
>>>>> script for relax.
>>>>>
>>>>> Please try these things at both computers, and provide 2 files with
>>>>> commands and output.
>>>>>
>>>>> Then attach it to the bug report.
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>> 2016-09-14 6:40 GMT+02:00 Mahdi, Sam <sam.mahdi....@my.csun.edu>:
>>>>>
>>>>>> Hi Troels,
>>>>>>
>>>>>> So I saw the tutorial you put, and the main problem was I had not
>>>>>> specified my data was only for the Nitrogen spins. After applying the
>>>>>> spin
>>>>>> column, my data loaded and relax ran model free with no problem. I have a
>>>>>> script that starts and runs relax and model free all automatic, if you
>>>>>> wish
>>>>>> I can send it via email to you and you can upload it to the tutorial wiki
>>>>>> page. So I can successfully run model-free in script mode for a
>>>>>> uni-processor.
>>>>>> The problem now with the multi-processor is that the script won't
>>>>>> load. In the bug page I uploaded a screenshot where I had input the
>>>>>> 'mpirun
>>>>>> -np 4 ../relax --multi='mpi4py' command, however I had no output. I
>>>>>> checked
>>>>>> processes running in the background, and saw that there was indeed 4
>>>>>> processess running in the background (1 master and 3 slaves) for relax;
>>>>>> but
>>>>>> there was no output, so I was unable to load any data, or create a pipe
>>>>>> or
>>>>>> anything. This was only on the Fedora 24 computer, not the Fedora 20. On
>>>>>> the Fedora 20 computer, I was able to successfully open relax on a multi
>>>>>> processor platform. I can send the screenshots and the relax -i for both
>>>>>> computers again. I don't know why it doesn't work the fedora 24. Do you
>>>>>> know what could be causing this?
>>>>>>
>>>>>> Thanks again in advance
>>>>>>
>>>>>> On Tue, Sep 13, 2016 at 9:32 PM, Troels Emtekær Linnet <
>>>>>> tlin...@nmr-relax.com> wrote:
>>>>>>
>>>>>>> Hi Sam
>>>>>>>
>>>>>>> Can you send the mail again and include the maillist?
>>>>>>>
>>>>>>> Best Troels
>>>>>>>
>>>>>>>
>>>>>>> Den tirsdag den 13. september 2016 skrev Mahdi, Sam <
>>>>>>> sam.mahdi....@my.csun.edu>:
>>>>>>>
>>>>>>>> HI Troels,
>>>>>>>>
>>>>>>>> So I saw the tutorial you put, and the main problem was I had not
>>>>>>>> specified my data was only for the Nitrogen spins. After applying the
>>>>>>>> spin
>>>>>>>> column, my data loaded and relax ran model free with no problem. I
>>>>>>>> have a
>>>>>>>> script that starts and runs relax and model free all automatic, if you
>>>>>>>> wish
>>>>>>>> I can send it via email to you and you can upload it to the tutorial
>>>>>>>> wiki
>>>>>>>> page. So I can successfully run model-free in script mode for a
>>>>>>>> uni-processor.
>>>>>>>> The problem now with the multi-processor is that the script won't
>>>>>>>> load. In the bug page I uploaded a screenshot where I had input the
>>>>>>>> 'mpirun
>>>>>>>> -np 4 ../relax --multi='mpi4py' command, however I had no output. I
>>>>>>>> checked
>>>>>>>> processes running in the background, and saw that there was indeed 4
>>>>>>>> processess running in the background (1 master and 3 slaves) for
>>>>>>>> relax; but
>>>>>>>> there was no output, so I was unable to load any data, or create a
>>>>>>>> pipe or
>>>>>>>> anything. This was only on the Fedora 24 computer, not the Fedora 20.
>>>>>>>> On
>>>>>>>> the Fedora 20 computer, I was able to successfully open relax on a
>>>>>>>> multi
>>>>>>>> processor platform. I can send the screenshots and the relax -i for
>>>>>>>> both
>>>>>>>> computers again. I don't know why it doesn't work the fedora 24. Do you
>>>>>>>> know what could be causing this?
>>>>>>>>
>>>>>>>> Thanks again in advance
>>>>>>>> Sam
>>>>>>>>
>>>>>>>> On Tue, Sep 13, 2016 at 1:01 PM, Troels Emtekær Linnet <
>>>>>>>> tlin...@nmr-relax.com> wrote:
>>>>>>>>
>>>>>>>>> Hi Sam.
>>>>>>>>>
>>>>>>>>> I closed the 2 bug reports as invalid.
>>>>>>>>>
>>>>>>>>> The data is not labelled correct.
>>>>>>>>> But this can be corrected.
>>>>>>>>>
>>>>>>>>> Please see this tutorial I wrote:
>>>>>>>>> http://wiki.nmr-relax.com/Tutorial_for_model-free_analysis_s
>>>>>>>>> am_mahdi
>>>>>>>>>
>>>>>>>>> I hope this give some guidance.
>>>>>>>>>
>>>>>>>>> If you experience any new problems, please feel free to ask!!
>>>>>>>>>
>>>>>>>>> What you experience, will probably be the same for many.
>>>>>>>>> Your feedback is valuable for the development.
>>>>>>>>>
>>>>>>>>> Please wait with using mpirun and multiple processors, before you
>>>>>>>>> are absolutely sure
>>>>>>>>> that it will run on 1 processor.
>>>>>>>>>
>>>>>>>>> Bugfixing when using multiple processors is a nightmare....
>>>>>>>>>
>>>>>>>>> Best
>>>>>>>>> Troels
>>>>>>>>>
>>>>>>>>> 2016-09-12 17:36 GMT+02:00 Mahdi, Sam <sam.mahdi....@my.csun.edu>:
>>>>>>>>>
>>>>>>>>>> Hi Troels,
>>>>>>>>>>
>>>>>>>>>> I just created another bug report. I simply copy pasted the
>>>>>>>>>> email, and uploaded the script files there.
>>>>>>>>>>
>>>>>>>>>> Sincerely,
>>>>>>>>>> Sam
>>>>>>>>>>
>>>>>>>>>> On Mon, Sep 12, 2016 at 5:14 AM, Troels Emtekær Linnet <
>>>>>>>>>> tlin...@nmr-relax.com> wrote:
>>>>>>>>>>
>>>>>>>>>>> Hi Sam.
>>>>>>>>>>>
>>>>>>>>>>> Can you produce another bug report.
>>>>>>>>>>>
>>>>>>>>>>> Please don't attach files to these mails as it will strain the
>>>>>>>>>>> mailinglists.
>>>>>>>>>>>
>>>>>>>>>>> Cheers
>>>>>>>>>>> Troels
>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>> Den lørdag den 10. september 2016 skrev Mahdi, Sam <
>>>>>>>>>>> sam.mahdi....@my.csun.edu>:
>>>>>>>>>>>
>>>>>>>>>>>> Hi Troels,
>>>>>>>>>>>>
>>>>>>>>>>>> Additional question that I had, if you could also look into
>>>>>>>>>>>> this as well on Tuesday please. I have decided to try to write a
>>>>>>>>>>>> script to
>>>>>>>>>>>> automate this whole process (since I won't be using the gui to do
>>>>>>>>>>>> model
>>>>>>>>>>>> free), and I've come across a problem. I can successfully open up
>>>>>>>>>>>> relax
>>>>>>>>>>>> using openmpi, and can load the pdb file, and assign all the spins
>>>>>>>>>>>> and
>>>>>>>>>>>> isotopes; however, it appears it will only load one data file (the
>>>>>>>>>>>> very
>>>>>>>>>>>> first one I'll have inputed in the script). I don't know if there
>>>>>>>>>>>> is a
>>>>>>>>>>>> problem with how I wrote my script. Not only will it not load the
>>>>>>>>>>>> rest of
>>>>>>>>>>>> my data sets, it won't actually run dAuvergne's protocol either,
>>>>>>>>>>>> it'll just
>>>>>>>>>>>> load the data set and exit out of the program. Attached is the
>>>>>>>>>>>> script I
>>>>>>>>>>>> wrote for relax.
>>>>>>>>>>>>
>>>>>>>>>>>> This is the output once relax has loaded
>>>>>>>>>>>>
>>>>>>>>>>>> script = 'model_free_sample_script.py'
>>>>>>>>>>>> ------------------------------------------------------------
>>>>>>>>>>>> ----------------------------------------
>>>>>>>>>>>> from time import asctime, localtime
>>>>>>>>>>>> from auto_analyses.dauvergne_protocol import
>>>>>>>>>>>> dAuvergne_protocol
>>>>>>>>>>>> DIFF_MODEL=['local_tm','sphere','prolate','oblate','ellipsoi
>>>>>>>>>>>> d','final']
>>>>>>>>>>>> MF_MODELS=['m0','m1','m2','m3','m4','m5','m6','m7','m8','m9']
>>>>>>>>>>>> LOCAL_TM_MODELS=['tm0','tm1','tm2','tm3','tm4','tm5','tm6','
>>>>>>>>>>>> tm7','tm7','tm8','tm9']
>>>>>>>>>>>> GRID_INC=11
>>>>>>>>>>>> MIN_ALGOR='newton'
>>>>>>>>>>>> MC_NUM=500
>>>>>>>>>>>> CONV_LOOP=True
>>>>>>>>>>>> pipe_bundle="mf(%s)"%asctime(localtime())
>>>>>>>>>>>> name="origin-"+pipe_bundle
>>>>>>>>>>>> pipe.create(name,'mf',bundle=pipe_bundle)
>>>>>>>>>>>> structure.read_pdb('2d9j.pdb',set_mol_name='hRGS7')
>>>>>>>>>>>> structure.load_spins('@N',ave_pos=True)
>>>>>>>>>>>> structure.load_spins('@NE1',ave_pos=True)
>>>>>>>>>>>> structure.load_spins('@H',ave_pos=True)
>>>>>>>>>>>> structure.load_spins('@HE1',ave_pos=True)
>>>>>>>>>>>> spin.isotope('15N',spin_id='@N*')
>>>>>>>>>>>> spin.isotope('1H',spin_id='@H*')
>>>>>>>>>>>> relax_data.read(ri_id='R1_Agnes',ri_type='R1',frq=599.642*1e6,
>>>>>>>>>>>> file='R1_Agnes',res_num_col=1,data_col=2,error_col=3)
>>>>>>>>>>>> relax_data.read(ri_id='R2_Agnes',ri_type='R2',frq=599.642*1e6,
>>>>>>>>>>>> file='R2_Agnes',res_num_col=1,data_col=2,error_col=3)
>>>>>>>>>>>> relax_data.read(ri_id='ssNOE_Agnes',ri_type='NOE',frq=599.642*1e6,
>>>>>>>>>>>> file='ssNOE_Agnes',res_num_col=1,data_col=2,error_col=3)
>>>>>>>>>>>> relax_data.read(ri_id='R1_NMRFAM',ri_type='R1',frq=799.642*1e6,
>>>>>>>>>>>> file='R1_NMRFAM',res_num_col=1,data_col=2,error_col=3)
>>>>>>>>>>>> relax_data.read(ri_id='R2_NMRFAM',ri_type='R2',frq=799.642*1e6,
>>>>>>>>>>>> file='R2_NMRFAM',res_num_col=1,data_col=2,error_col=3)
>>>>>>>>>>>> relax_data.read(ri_id='ssNOE_NMRFAM',ri_type='NOE',frq=799.642*1e6,
>>>>>>>>>>>> file='ssNOE_NMRFAM',res_num_col=1,data_col=2,error_col=3)
>>>>>>>>>>>> interatom.define(spin_id1='@N',spin_id2='@H', direct_bond=True)
>>>>>>>>>>>> interatom.define(spin_id1='@NE1',spin_id2='@HE1',
>>>>>>>>>>>> direct_bond=True)
>>>>>>>>>>>> interatom.set_dist(spin_id1='@N*',spin_id2='@H*',ave_dist=1.
>>>>>>>>>>>> 02*1e-10)
>>>>>>>>>>>> interatom.unit_vectors()
>>>>>>>>>>>> value.set(-172*1e-6,'csa',spin_id='@N*')
>>>>>>>>>>>> dAuvergne_protocol(pipe_name=name,pipe_bundle=pipe_bundle,di
>>>>>>>>>>>> ff_model=DIFF_MODEL,mf_models=MF_MODELS,local_tm_models=LOCA
>>>>>>>>>>>> L_TM_MODELS,grid_inc=GRID_INC,min_algor=MIN_ALGOR,mc_sim_num
>>>>>>>>>>>> =MC_NUM,conv_loop=CONV_LOOP)
>>>>>>>>>>>>
>>>>>>>>>>>> So it indicates that my script has loaded. However, after it
>>>>>>>>>>>> loads the spins from the pdb file, this is what happens after my
>>>>>>>>>>>> first data
>>>>>>>>>>>> set has been loaded:
>>>>>>>>>>>>
>>>>>>>>>>>> relax> relax_data.read(ri_id='R1_Agnes', ri_type='R1',
>>>>>>>>>>>> frq=599642000.0, file='R1_Agnes', dir=None, spin_id_col=None,
>>>>>>>>>>>> mol_name_col=None, res_num_col=1, res_name_col=None,
>>>>>>>>>>>> spin_num_col=None,
>>>>>>>>>>>> spin_name_col=None, data_col=2, error_col=3, sep=None,
>>>>>>>>>>>> spin_id=None)
>>>>>>>>>>>> Opening the file 'R1_Agnes' for reading.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['Residue', 'R1',
>>>>>>>>>>>> 'Error'] is invalid, the residue number data 'Residue' is invalid.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['1'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['2'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['3'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['4'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['5'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['6'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['7'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['8'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['9'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['10'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['11'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['16'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['17'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['18'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['21'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['22'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['23'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['26'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['27'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['28'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['31'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['40'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['46'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['58'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['61'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['62'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['63'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['73'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['76'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['79'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['81'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['82'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['85'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['94'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['97'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['99'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['106'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['115'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['121'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['126'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['127'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['134'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['135'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['136'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['137'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['139'] is invalid,
>>>>>>>>>>>> the data is missing.
>>>>>>>>>>>>
>>>>>>>>>>>> RelaxError: The spin ID '#hRGS7:12' corresponds to multiple
>>>>>>>>>>>> spins, including '#hRGS7:12@N' and '#hRGS7:12@H'.
>>>>>>>>>>>> crowlab: [~/relax-4.0.2]>
>>>>>>>>>>>>
>>>>>>>>>>>> As you can see, I have all 6 data sets set to load, but only
>>>>>>>>>>>> the very first one appears to do so, and after it loads, it just
>>>>>>>>>>>> exits out
>>>>>>>>>>>> of relax. Again, I don't know if this is a problem with how I
>>>>>>>>>>>> wrote the
>>>>>>>>>>>> script. The Relax_script1 is the one that I load up to run the
>>>>>>>>>>>> whole thing.
>>>>>>>>>>>> The model free script.py is just the script it reads once relax
>>>>>>>>>>>> has opened
>>>>>>>>>>>> up. Again, I can see all the spins are properly loaded, and the
>>>>>>>>>>>> isotopes
>>>>>>>>>>>> are set. It just everything after the first data set that doesn't
>>>>>>>>>>>> load.
>>>>>>>>>>>> Thanks again in advance.
>>>>>>>>>>>>
>>>>>>>>>>>> Sincerely,
>>>>>>>>>>>> Sam
>>>>>>>>>>>>
>>>>>>>>>>>> On Thu, Sep 8, 2016 at 10:15 AM, Mahdi, Sam <
>>>>>>>>>>>> sam.mahdi....@my.csun.edu> wrote:
>>>>>>>>>>>>
>>>>>>>>>>>>> Hi Troels,
>>>>>>>>>>>>>
>>>>>>>>>>>>> Thank you so much. If there is any extra info you need please
>>>>>>>>>>>>> let me know.
>>>>>>>>>>>>>
>>>>>>>>>>>>> Sincerely,
>>>>>>>>>>>>> Sam
>>>>>>>>>>>>>
>>>>>>>>>>>>> On Thu, Sep 8, 2016 at 9:12 AM, Troels Emtekær Linnet <
>>>>>>>>>>>>> tlin...@nmr-relax.com> wrote:
>>>>>>>>>>>>>
>>>>>>>>>>>>>> Hi Sam.
>>>>>>>>>>>>>>
>>>>>>>>>>>>>> I will have some time on Tuesday, and then I will look at it.
>>>>>>>>>>>>>>
>>>>>>>>>>>>>> Best
>>>>>>>>>>>>>> Troels
>>>>>>>>>>>>>>
>>>>>>>>>>>>>>
>>>>>>>>>>>>>> Den onsdag den 7. september 2016 skrev Mahdi, Sam <
>>>>>>>>>>>>>> sam.mahdi....@my.csun.edu>:
>>>>>>>>>>>>>>
>>>>>>>>>>>>>>> Hello Troels,
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>> I uploaded all the files, and even added in the entire
>>>>>>>>>>>>>>> output that i recieved using model free in script mode. I
>>>>>>>>>>>>>>> didn't know if
>>>>>>>>>>>>>>> all the files uploaded need to have that link, so only the
>>>>>>>>>>>>>>> initial files
>>>>>>>>>>>>>>> that were uploaded it, have it.
>>>>>>>>>>>>>>> Thank you in advance for your help!
>>>>>>>>>>>>>>> Sincerely,
>>>>>>>>>>>>>>> Sam
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>> On Wed, Sep 7, 2016 at 12:41 AM, Troels Emtekær Linnet <
>>>>>>>>>>>>>>> tlin...@nmr-relax.com> wrote:
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>> Hi Sam.
>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>> You should be able to upload more files after the initial
>>>>>>>>>>>>>>>> upload.
>>>>>>>>>>>>>>>> In the comment thread, please also make a link to this
>>>>>>>>>>>>>>>> discussion.
>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>> https://mail.gna.org/public/re
>>>>>>>>>>>>>>>> lax-users/2016-09/threads.html#00001
>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>> Best
>>>>>>>>>>>>>>>> Troels
>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>> 2016-09-06 19:10 GMT+02:00 Mahdi, Sam <
>>>>>>>>>>>>>>>> sam.mahdi....@my.csun.edu>:
>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>> Thank you for your reply. When I come to upload my data
>>>>>>>>>>>>>>>>> though, I see there are only 4 available slots I can upload
>>>>>>>>>>>>>>>>> my data. I have
>>>>>>>>>>>>>>>>> a total of 6 data files however, that need to be uploaded (3
>>>>>>>>>>>>>>>>> of each
>>>>>>>>>>>>>>>>> frequency). I also need to upload the relax -i of 2 different
>>>>>>>>>>>>>>>>> computers,
>>>>>>>>>>>>>>>>> and the script file I've been using for a total of 9 files
>>>>>>>>>>>>>>>>> that need to be
>>>>>>>>>>>>>>>>> uploaded. Is there a way to increase the amount I can upload,
>>>>>>>>>>>>>>>>> or can I
>>>>>>>>>>>>>>>>> upload more after the initial submission?
>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>> On Mon, Sep 5, 2016 at 2:46 AM, Troels Emtekær Linnet <
>>>>>>>>>>>>>>>>> tlin...@nmr-relax.com> wrote:
>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>> Hi Sam.
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>> To solve this problem, it would be easier to have access
>>>>>>>>>>>>>>>>>> to some of your data.
>>>>>>>>>>>>>>>>>> Can you upload to: https://gna.org/bugs/?group=relax
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>> Take each of your data files, and delete all data, except
>>>>>>>>>>>>>>>>>> 2 spins.
>>>>>>>>>>>>>>>>>> Also provide your script file, or a description of which
>>>>>>>>>>>>>>>>>> button you press in the GUI.
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>> Please also provide information about your system with:
>>>>>>>>>>>>>>>>>> relax -i
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>> Then I will make a tutorial for you. To be added here:
>>>>>>>>>>>>>>>>>> http://wiki.nmr-relax.com/Category:Tutorials
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>> If there is a problem in relax, I will write a systemtest
>>>>>>>>>>>>>>>>>> which will solve the problem.
>>>>>>>>>>>>>>>>>> And the problem will never return.
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>> If this a user error, the tutorial should help to prevent
>>>>>>>>>>>>>>>>>> this, and would be the first step before
>>>>>>>>>>>>>>>>>> adding/modifying the manual.
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>> Regarding using mpirun.
>>>>>>>>>>>>>>>>>> Have a look at this page. Maybe it helps.
>>>>>>>>>>>>>>>>>> http://wiki.nmr-relax.com/OpenMPI
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>> Cheers.
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>> 2016-09-03 4:13 GMT+02:00 Mahdi, Sam <
>>>>>>>>>>>>>>>>>> sam.mahdi....@my.csun.edu>:
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> Hello everyone,
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> So I was able to set up and run the dauvergne_protocol
>>>>>>>>>>>>>>>>>>> successfully by
>>>>>>>>>>>>>>>>>>> using the script in the wiki. The problem I have come
>>>>>>>>>>>>>>>>>>> across now is the
>>>>>>>>>>>>>>>>>>> program doesn't seem to read my data. Using the gui
>>>>>>>>>>>>>>>>>>> interface I was able to
>>>>>>>>>>>>>>>>>>> successfully load my data and run it. When I upload my
>>>>>>>>>>>>>>>>>>> data using the
>>>>>>>>>>>>>>>>>>> script command:
>>>>>>>>>>>>>>>>>>> relax_data.read(ri_id='R1_Agne
>>>>>>>>>>>>>>>>>>> s',ri_type='R1',frq=599.642*1e6,
>>>>>>>>>>>>>>>>>>> file='R1_Agnes',res_num_col=1,data_col=2,error_col=3)
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> The output file simply gives errors for amino acids I
>>>>>>>>>>>>>>>>>>> don't have data for:
>>>>>>>>>>>>>>>>>>> RelaxWarning: The sequence data in the line ['1'] is
>>>>>>>>>>>>>>>>>>> invalid, the data is
>>>>>>>>>>>>>>>>>>> missing.
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> This is fine as relax just ignores these values and
>>>>>>>>>>>>>>>>>>> continues its
>>>>>>>>>>>>>>>>>>> calculations. I only receive this warning for values I
>>>>>>>>>>>>>>>>>>> don't have data for.
>>>>>>>>>>>>>>>>>>> This is the same thing I got when using the gui
>>>>>>>>>>>>>>>>>>> interface (the gui however
>>>>>>>>>>>>>>>>>>> showed my values that I have data for and the residue it
>>>>>>>>>>>>>>>>>>> corresponds to,
>>>>>>>>>>>>>>>>>>> using the script I don't receive such an output, I don't
>>>>>>>>>>>>>>>>>>> know whether this
>>>>>>>>>>>>>>>>>>> is normal or not). However, since I don't get this
>>>>>>>>>>>>>>>>>>> warning for every amino
>>>>>>>>>>>>>>>>>>> acid, I assume this means it has read the values for the
>>>>>>>>>>>>>>>>>>> other amino acids.
>>>>>>>>>>>>>>>>>>> All of my data is the same, relax warnings only pop up
>>>>>>>>>>>>>>>>>>> for amino acids that
>>>>>>>>>>>>>>>>>>> I don't have data for. The problem is, when I enter the
>>>>>>>>>>>>>>>>>>> dAuvergne protocol,
>>>>>>>>>>>>>>>>>>> I get the protocol working, it starts running local_tm
>>>>>>>>>>>>>>>>>>> however it appears
>>>>>>>>>>>>>>>>>>> none of my data has been uploaded:
>>>>>>>>>>>>>>>>>>> RelaxWarning: The spin '#hRGS7:2@N' has been deselected
>>>>>>>>>>>>>>>>>>> because of missing
>>>>>>>>>>>>>>>>>>> relaxation data
>>>>>>>>>>>>>>>>>>> RelaxWarning: The spin '#hRGS7:3@N' has been deselected
>>>>>>>>>>>>>>>>>>> because of missing
>>>>>>>>>>>>>>>>>>> relaxation data
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> And I get that warning for every single amino acid. From
>>>>>>>>>>>>>>>>>>> the output, it
>>>>>>>>>>>>>>>>>>> appears to have read the file since it knows exactly
>>>>>>>>>>>>>>>>>>> which amino acids I
>>>>>>>>>>>>>>>>>>> don't have data for, but I don't know why when it comes
>>>>>>>>>>>>>>>>>>> to running the
>>>>>>>>>>>>>>>>>>> protocol, it tells me I havn't inputed any data. I have
>>>>>>>>>>>>>>>>>>> typed everything
>>>>>>>>>>>>>>>>>>> directly according to the script from the wiki. From
>>>>>>>>>>>>>>>>>>> running the protoco,
>>>>>>>>>>>>>>>>>>> it appears everything has properly been uploaded,
>>>>>>>>>>>>>>>>>>> structure data, magnetic
>>>>>>>>>>>>>>>>>>> dipole interactions, csa, the data pipe, the analysis
>>>>>>>>>>>>>>>>>>> variables, the python
>>>>>>>>>>>>>>>>>>> module imports, and setting up the spins from the pdb
>>>>>>>>>>>>>>>>>>> file. It appears the
>>>>>>>>>>>>>>>>>>> only error is from loading the actual relaxation data.
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> On a completely unrelated side note, I have been
>>>>>>>>>>>>>>>>>>> attempting to run relax on
>>>>>>>>>>>>>>>>>>> multiple processors. I have tried 2 different computers,
>>>>>>>>>>>>>>>>>>> both fedora linux.
>>>>>>>>>>>>>>>>>>> I have mpi4py and openmpi downloaded on both. On one, I
>>>>>>>>>>>>>>>>>>> can get relax on
>>>>>>>>>>>>>>>>>>> multiple cores working (havn't been able to successfully
>>>>>>>>>>>>>>>>>>> run it due to
>>>>>>>>>>>>>>>>>>> being unable to upload any data properly). On the other
>>>>>>>>>>>>>>>>>>> however, I type in
>>>>>>>>>>>>>>>>>>> the mpirun -np --multi='mpi4py' script, but I get no
>>>>>>>>>>>>>>>>>>> output. I can see that
>>>>>>>>>>>>>>>>>>> it's running in the background (top command), but
>>>>>>>>>>>>>>>>>>> nothing pops up, no text
>>>>>>>>>>>>>>>>>>> command, nothing. I typed the same mpirun with the
>>>>>>>>>>>>>>>>>>> --gui, but that opened
>>>>>>>>>>>>>>>>>>> up nothing. On a uni-processor (typing in the exact same
>>>>>>>>>>>>>>>>>>> command without
>>>>>>>>>>>>>>>>>>> indicating how many cores i.e. no -np --multi='mpi4py')
>>>>>>>>>>>>>>>>>>> it works just fine,
>>>>>>>>>>>>>>>>>>> so I don't think its my openmpi that's an issue. I don't
>>>>>>>>>>>>>>>>>>> know whether this
>>>>>>>>>>>>>>>>>>> is an issue with my mpi4py or a personal computer issue
>>>>>>>>>>>>>>>>>>> (since on the other
>>>>>>>>>>>>>>>>>>> computer relax runs just fine on multiple cores).
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> Sincerely,
>>>>>>>>>>>>>>>>>>> Sam
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> P.S. when I do enter the top command to see what's
>>>>>>>>>>>>>>>>>>> running. My master shows
>>>>>>>>>>>>>>>>>>> mpirun, and the 3 slaves display python when I put -np
>>>>>>>>>>>>>>>>>>> 4, so I know
>>>>>>>>>>>>>>>>>>> something is running in the background. I have 8 cores.
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> On Wed, Aug 31, 2016 at 6:49 PM, Mahdi, Sam <
>>>>>>>>>>>>>>>>>>> sam.mahdi....@my.csun.edu>
>>>>>>>>>>>>>>>>>>> wrote:
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> > Hello everyone,
>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>> > I am attempting to run relax on a multi-processor
>>>>>>>>>>>>>>>>>>> mode. I have been able
>>>>>>>>>>>>>>>>>>> > to successfully set-up relax to operate in a
>>>>>>>>>>>>>>>>>>> multi-processor mode by using
>>>>>>>>>>>>>>>>>>> > the mpirun -np #ofprocessors /location/of/relax
>>>>>>>>>>>>>>>>>>> --multi='mpi4py'
>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>> > The problem I encounter is when using the --tee log
>>>>>>>>>>>>>>>>>>> dauvergne_protocol.py
>>>>>>>>>>>>>>>>>>> > command. I receive this error
>>>>>>>>>>>>>>>>>>> > RelaxError: the script file 'dauvergne_protocol.py'
>>>>>>>>>>>>>>>>>>> does not exist
>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>> > I located the script file and tried to direct to it's
>>>>>>>>>>>>>>>>>>> path
>>>>>>>>>>>>>>>>>>> > mpirun /usr/local/Relax/relax-2.2.5/relax
>>>>>>>>>>>>>>>>>>> --multi='mpi4py' --tee log
>>>>>>>>>>>>>>>>>>> > /usr/local/Relax/relax-2.2.5/a
>>>>>>>>>>>>>>>>>>> uto-analyses/dauvergne_protocol.py
>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>> > But i received this error
>>>>>>>>>>>>>>>>>>> > RelaxError: the script file
>>>>>>>>>>>>>>>>>>> '/usr/local/Relax/relax-2.2.5/
>>>>>>>>>>>>>>>>>>> > auto-analyses/dauvergne_protocol.py' does not exist.
>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>> > Even though I have the script, it doesn't seem to be
>>>>>>>>>>>>>>>>>>> able to locate it.
>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>> > On a side note, in the manual, one dash doesn't
>>>>>>>>>>>>>>>>>>> actually run the command.
>>>>>>>>>>>>>>>>>>> > I.e. in the manual it displays -multi='mpi4py' . What
>>>>>>>>>>>>>>>>>>> it should be is
>>>>>>>>>>>>>>>>>>> > --multi='mpi4py' . The same goes for -tee. It should
>>>>>>>>>>>>>>>>>>> be --tee.
>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>> > Sincerely,
>>>>>>>>>>>>>>>>>>> > Sam
>>>>>>>>>>>>>>>>>>> >
>>>>>>>>>>>>>>>>>>> _______________________________________________
>>>>>>>>>>>>>>>>>>> relax (http://www.nmr-relax.com)
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> This is the relax-users mailing list
>>>>>>>>>>>>>>>>>>> relax-users@gna.org
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>> To unsubscribe from this list, get a password
>>>>>>>>>>>>>>>>>>> reminder, or change your subscription options,
>>>>>>>>>>>>>>>>>>> visit the list information page at
>>>>>>>>>>>>>>>>>>> https://mail.gna.org/listinfo/relax-users
>>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>>
>>>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>
>>>>>>>>
>>>>>>
>>>>>
>>>>
>>>
>>
>
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