On Thu, Jul 8, 2021 at 9:19 AM Rishabh Guha <[email protected]> wrote: > > I think there is an inconsistency here because these coordinates are straight > from my LAMMPS data file:- > I have 500 beads in 500 molecules for the coarsegraining > > -20.153 > > 0.534 > > -24.577 -18.68 > > 3.621 > > -23.916 > > an error occurred: > > coarse-grained bead is bigger than half the box > > (atoms N1 (id 18), O7 (id 22) , molecule 1). > > 18 1 1 -0.9187999963760376 -20.153000 0.534000 -24.577000 > 22 1 7 -0.4959999918937683 -18.680000 3.621000 -23.916000 > > Therefore, these are in Angstrom (not nm). So 3.621 - 0.534 is technically > 0.3087 nm. Not sure why Votca is not doing the nm conversion here. You are right, I made a fix here: https://github.com/votca/csg/pull/697. We fixed it in the dump reader before, but seem to have missed it in the LAMMPS data reader.
> > Anyways, I tried visualizing the .gro file in VMD and it looks fine. Nothing > stands out. The initial file was 250 molecules of 2 different types of amino > acids. Since I mapped each molecule to a single bead I now get 2 different > types of beads each being 250 in number. > > Can you please give me some pointers on how I proceed now. My aim is to > generate a CG potential for these amino acid pairs based on RDF calculated > from the atomistic trajectories. I have already calculated the RDF's from the > atomistic trajectory but I don't know how I use it in VOTCA. The csg manual has more details here: https://www.votca.org/csg/index.html But in short, you will have to generate input files for Gromacs (or LAMMPS) that have everything but the potentials. csg_gmxtopol can be a good starting point even though it can only deal with one type of molecule, but I usually start with one of the tutorials go from there, if you have 2 kinds of molecules, have a look at the methanol-water or urea-water tutorials: https://github.com/votca/csg-tutorials Christoph > > I was trying to follow some discussion topics on the group and one of them > mentions generating a CG topology file using cg_gmxtopol. When I try that I > am getting this warning :- > > csg_gmxtopol --top topology.xml --cg "lysine.xml;methionine.xml" --out > topol.top > > WARNING: The votca lammps data reader is only able to read lammps files > formatted in the following styles: > angle > atom > bond > full > molecule > > These styles use the following formats in the atom block: > atom-ID molecule-ID atom-type charge x y z > atom-ID molecule-ID atom-type charge x y z nx ny nz > atom-ID molecule-ID atom-type x y z > atom-ID molecule-ID atom-type x y z nx ny nz > atom-ID atom-type x y z > atom-ID atom-type x y z nx ny nz > > I have 11000 beads in 500 molecules > I have 500 beads in 500 molecules for the coarsegraining > WARNING: cannot create topology for topology withmultiple molecules, using > only first molecule > > > > On Thu, Jul 8, 2021 at 11:05 AM Christoph Junghans <[email protected]> wrote: >> >> On Thu, Jul 8, 2021 at 8:21 AM Rishabh Guha <[email protected]> wrote: >> > >> > Hey Christoph, >> > >> > First of all thanks for following up. Sorry this is gonna be a long email >> > but I have some interesting observations based on your question. First of >> > all if I try to do a topology dump using my pdb file I don't get a "size" >> > of the box per say. >> > >> > I get this :- I have 8000 beads in 500 molecules >> > Boundary Condition: open >> > >> > Moreover the charges on my atoms are also 0 in the pdb file. I figured >> > that for my case, using the LAMMPS data file I generate from my PDB file >> > is a better candidate. When I use the LAMMPS data file, the identifiers >> > change from 1:ALA:XX to 1:DUM:XX. I did all those changes and then if I do >> > csg_dump I get:- >> > >> > I have 11000 beads in 500 molecules >> > Boundary Condition: orthorhombic >> > Box matix: 5.76509 0 0 >> > 0 5.76509 0 >> > 0 0 5.76509 (It was a different data set which has 11000 >> > molecules instead of 8000 so that is not an issue) >> > >> > Now my original LAMMPS data file actually gies from: >> > -28.825434 28.825434 xlo xhi >> > -28.825434 28.825434 ylo yhi >> > -28.825434 28.825434 zlo zhi >> > >> > So I guess VOTCA doesn't account for the negative coordinates and starts >> > everything from 0. >> Well, 2x 28.825434 Angstroem = 5.76509 nm, so above it is correct. >> VOTCA uses minimum image convention when a box is given, so it is able >> deal with negative coordinates. >> >> > >> > I tried csg_map with this and I again got the previous error: >> > I have 11000 beads in 500 molecules >> > I have 500 beads in 500 molecules for the coarsegraining >> > -20.153 >> > 0.534 >> > -24.577 -18.68 >> > 3.621 >> > -23.916 >> > an error occurred: >> > coarse-grained bead is bigger than half the box >> > (atoms N1 (id 18), O7 (id 22) , molecule 1). >> Half box length 2.88254 nm, but | 3.621 - 0.534 | (y difference of the >> two beads above) is 3.087nm and hence bigger than L/2, so the error >> message is correct as well. >> >> > >> > This time around I just increased the box size by a multiplier of 10 in >> > x,y and z and it worked: >> > >> > These styles use the following formats in the atom block: >> > atom-ID molecule-ID atom-type charge x y z >> > atom-ID molecule-ID atom-type charge x y z nx ny nz >> > atom-ID molecule-ID atom-type x y z >> > atom-ID molecule-ID atom-type x y z nx ny nz >> > atom-ID atom-type x y z >> > atom-ID atom-type x y z nx ny nz >> > >> > I have 11000 beads in 500 molecules >> > I have 500 beads in 500 molecules for the coarsegraining >> > Reading frame, timestep 5000000 >> > writing coarse-grained trajectory to cg.gro >> > >> > I wanted to know whether increasing the box size is okay in this case. >> When you increase the box size you basically force the atoms in the >> 1st image of the periodic box. >> One problem with this method is that one could construct a case where >> a molecule would be broken into 2 pieces, when some atoms have >> coordinates on a different image than other atoms. Only way to know is >> to look at the output with vmd or pymol. >> >> Christoph >> > >> > Thanks again >> > >> > On Wed, Jul 7, 2021 at 6:35 PM Christoph Junghans <[email protected]> >> > wrote: >> >> >> >> On Wed, Jul 7, 2021 at 2:18 PM Rishabh Guha <[email protected]> wrote: >> >> > >> >> > Hey Christoph, >> >> > >> >> > First of all in my pdb file the atoms are at:- >> >> > ATOM 1 CA ALA A 1 11.853 -2.654 0.787 1.00 0.00 >> >> > C >> >> > ATOM 2 C ALA A 1 12.896 -2.967 -0.276 1.00 0.00 >> >> > C >> >> > >> >> > Do you know why votca is dividing all the positions by 10? >> >> VOTCA uses nm internally, and pdb is in Angstrom. >> >> > >> >> > Secondly these atoms show up as- >> >> > 0 Name 1:ALA:CA Type CA Mass 12.0107 Resnr 0 Resname ALA Charge 0 >> >> > 1 Name 1:ALA:C Type C Mass 12.0107 Resnr 0 Resname ALA Charge 0 >> >> > when I do csg_dump --top topology.xml and are mapped as 1:ALA:CA >> >> > 1:ALA:C 1:ALA:N 1:ALA:H1 1:ALA:H2 1:ALA:CB 1:ALA:HA 1:ALA:HB1 1:ALA:HB2 >> >> > 1:ALA:HB3 1:ALA:O 1:ALA:OXT 1:ALA:HXT in the alanine.xml file. >> >> > >> >> > I do not see any issues in the mapping to be honest >> >> When you run csg_dump, what does it tell you the box size is? >> >> >> >> Christoph >> >> > >> >> > Regards >> >> > >> >> > On Wed, Jul 7, 2021 at 4:09 PM Christoph Junghans <[email protected]> >> >> > wrote: >> >> >> >> >> >> >> >> >> >> >> >> On Wed, Jul 7, 2021, 14:05 Rishabh Guha <[email protected]> wrote: >> >> >>> >> >> >>> Hey Christoph, >> >> >>> >> >> >>> Thanks for the pointers. I tried to look closely into my mapping >> >> >>> files and compared them with the pdb files, but nothing jumped out at >> >> >>> me. Although I admit that it can easily be an oversight-I have just >> >> >>> started using Votca today. I have attached all my files below. Does >> >> >>> anything jump out at you? I am convinced that none of my atoms are >> >> >>> than half the box length away >> >> >> >> >> >> The error says there is an atom at 1.1853 >> >> >> -0.2654 0.0787 and one at 1.2896 -0.2967 -0.0276 that you are trying >> >> >> to map in a cg bead. These are the ones you have to look at carefully >> >> >> in the mapping file. >> >> >> >> >> >> Christoph >> >> >> >> >> >>> >> >> >>> >> >> >>> Regards >> >> >>> >> >> >>> On Wed, Jul 7, 2021 at 3:55 PM Christoph Junghans >> >> >>> <[email protected]> wrote: >> >> >>>> >> >> >>>> >> >> >>>> >> >> >>>> On Wed, Jul 7, 2021 at 13:44 Rishabh Guha <[email protected]> wrote: >> >> >>>>> >> >> >>>>> Hey Christoph, >> >> >>>>> >> >> >>>>> Thanks for the help. I got to know about the csg_dump command as >> >> >>>>> soon as I sent you the email. For some reason, csg_dump is >> >> >>>>> categorizing all the atoms as the valine molecules as ALA as well, >> >> >>>>> which is counterintuitive to me. >> >> >>>> >> >> >>>> yeah, there is a way to fix this, these are just unique identifiers >> >> >>>> so it doesn’t matter a lot what they are as long as they are unique. >> >> >>>> This artifact mainly stems from the fact that the pdb format misses >> >> >>>> some molecule information. >> >> >>>> >> >> >>>> >> >> >>>> >> >> >>>>> But I did change my valine.xml file to:- >> >> >>>>> >> >> >>>>> <cg_molecule> >> >> >>>>> <name>VAL</name> >> >> >>>>> <ident>VAL</ident> >> >> >>>>> <topology> >> >> >>>>> <cg_beads> >> >> >>>>> <cg_bead> >> >> >>>>> <name>VAL</name> >> >> >>>>> <type>VAL</type> >> >> >>>>> <mapping>A</mapping> >> >> >>>>> <beads> >> >> >>>>> 1:ALA:CA 1:ALA:C 1:ALA:N 1:ALA:H1 1:ALA:H2 1:ALA:CB >> >> >>>>> 1:ALA:HA 1:ALA:CG1 1:ALA:HG11 1:ALA:HG12 1:ALA:HG13 1:ALA:CG2 >> >> >>>>> 1:ALA:HB 1:ALA:HG21 1:ALA:HG22 1:ALA:HG23 1:ALA:O 1:ALA:OXT >> >> >>>>> 1:ALA:HXT >> >> >>>>> </beads> >> >> >>>>> </cg_bead> >> >> >>>>> </cg_beads> >> >> >>>>> </topology> >> >> >>>>> <maps> >> >> >>>>> <map> >> >> >>>>> <name>A</name> >> >> >>>>> <weights>12 12 14 1 1 12 1 12 1 1 1 12 1 1 1 1 16 16 >> >> >>>>> 1</weights> >> >> >>>>> </map> >> >> >>>>> </maps> >> >> >>>>> </cg_molecule> >> >> >>>>> >> >> >>>>> Now, I get a different error, >> >> >>>>> I have 8000 beads in 500 molecules >> >> >>>>> I have 500 beads in 500 molecules for the coarsegraining >> >> >>>>> 1.1853 >> >> >>>>> -0.2654 >> >> >>>>> 0.0787 1.2896 >> >> >>>>> -0.2967 >> >> >>>>> -0.0276 >> >> >>>>> an error occurred: >> >> >>>>> coarse-grained bead is bigger than half the box >> >> >>>>> (atoms CA (id 1), C (id 2) , molecule 1) >> >> >>>>> >> >> >>>>> Can you please tell me what I can change? >> >> >>>> >> >> >>>> this error means you are trying to map teo atoms that are more than >> >> >>>> half a box length away into one cg bead. The 6 number above are the >> >> >>>> positions. >> >> >>>> >> >> >>>> There can be multiple reasons for that error, most of the times it >> >> >>>> is a typo in the mapping file. If you are sure things are correct, >> >> >>>> you can always make the box bigger. >> >> >>>> >> >> >>>> Christoph >> >> >>>>> >> >> >>>>> >> >> >>>>> >> >> >>>>> On Wed, Jul 7, 2021 at 3:29 PM Christoph Junghans >> >> >>>>> <[email protected]> wrote: >> >> >>>>>> >> >> >>>>>> >> >> >>>>>> >> >> >>>>>> On Wed, Jul 7, 2021 at 13:23 Rishabh Guha <[email protected]> wrote: >> >> >>>>>>> >> >> >>>>>>> Hello, >> >> >>>>>>> >> >> >>>>>>> I have an atomistic system consisting of 250 alanine and 250 >> >> >>>>>>> valine molecules. I am trying to use cg_map using the pdb file >> >> >>>>>>> and the LAMMPS output trajectory, but I am getting an error:- >> >> >>>>>>> cannot find: <1:VAL:CA> in VAL >> >> >>>>>>> an error occurred: >> >> >>>>>>> mapping error: molecule 1:VAL:CA does not exist >> >> >>>>>> >> >> >>>>>> try to run “csg_dump --top topol.xml” and check how VOTCA labels >> >> >>>>>> things. >> >> >>>>>> >> >> >>>>>> Christoph >> >> >>>>>> >> >> >>>>>>> >> >> >>>>>>> My topology file looks like:- >> >> >>>>>>> <topology base="temp.pdb"> >> >> >>>>>>> <molecules> >> >> >>>>>>> <clear/> >> >> >>>>>>> <define name="ALA" first="1" nbeads="13" nmols="250"/> >> >> >>>>>>> <define name="VAL" first="3251" nbeads="19" nmols="250"/> >> >> >>>>>>> </molecules> >> >> >>>>>>> </topology> >> >> >>>>>>> >> >> >>>>>>> My individual alanine and valine xml files are:- >> >> >>>>>>> Alanine- >> >> >>>>>>> <cg_molecule> >> >> >>>>>>> <name>ALA</name> >> >> >>>>>>> <ident>ALA</ident> >> >> >>>>>>> <topology> >> >> >>>>>>> <cg_beads> >> >> >>>>>>> <cg_bead> >> >> >>>>>>> <name>ALA</name> >> >> >>>>>>> <type>ALA</type> >> >> >>>>>>> <mapping>A</mapping> >> >> >>>>>>> <beads> >> >> >>>>>>> 1:ALA:CA 1:ALA:C 1:ALA:N 1:ALA:H1 1:ALA:H2 1:ALA:CB >> >> >>>>>>> 1:ALA:HA 1:ALA:HB1 1:ALA:HB2 1:ALA:HB3 1:ALA:O 1:ALA:OXT 1:ALA:HXT >> >> >>>>>>> </beads> >> >> >>>>>>> </cg_bead> >> >> >>>>>>> </cg_beads> >> >> >>>>>>> </topology> >> >> >>>>>>> <maps> >> >> >>>>>>> <map> >> >> >>>>>>> <name>A</name> >> >> >>>>>>> <weights>12 12 14 1 1 12 1 1 1 1 16 16 1</weights> >> >> >>>>>>> </map> >> >> >>>>>>> </maps> >> >> >>>>>>> </cg_molecule> >> >> >>>>>>> >> >> >>>>>>> Valine >> >> >>>>>>> <cg_molecule> >> >> >>>>>>> <name>VAL</name> >> >> >>>>>>> <ident>VAL</ident> >> >> >>>>>>> <topology> >> >> >>>>>>> <cg_beads> >> >> >>>>>>> <cg_bead> >> >> >>>>>>> <name>VAL</name> >> >> >>>>>>> <type>VAL</type> >> >> >>>>>>> <mapping>A</mapping> >> >> >>>>>>> <beads> >> >> >>>>>>> 1:VAL:CA 1:VAL:C 1:VAL:N 1:VAL:H1 1:VAL:H2 1:VAL:CB >> >> >>>>>>> 1:VAL:HA 1:VAL:CG1 1:VAL:HG11 1:VAL:HG12 1:VAL:HG13 1:VAL:CG2 >> >> >>>>>>> 1:VAL:HB 1:VAL:HG21 1:VAL:HG22 1:VAL:HG23 1:VAL:O 1:VAL:OXT >> >> >>>>>>> 1:VAL:HXT >> >> >>>>>>> </beads> >> >> >>>>>>> </cg_bead> >> >> >>>>>>> </cg_beads> >> >> >>>>>>> </topology> >> >> >>>>>>> <maps> >> >> >>>>>>> <map> >> >> >>>>>>> <name>A</name> >> >> >>>>>>> <weights>12 12 14 1 1 12 1 12 1 1 1 12 1 1 1 1 16 16 >> >> >>>>>>> 1</weights> >> >> >>>>>>> </map> >> >> >>>>>>> </maps> >> >> >>>>>>> </cg_molecule> >> >> >>>>>>> >> >> >>>>>>> I have attached the pdb file for further reference. >> >> >>>>>>> >> >> >>>>>>> Can anyone please help me with this? >> >> >>>>>>> >> >> >>>>>>> -- >> >> >>>>>>> Join us on Slack: https://join.slack.com/t/votca/signup >> >> >>>>>>> --- >> >> >>>>>>> You received this message because you are subscribed to the >> >> >>>>>>> Google Groups "votca" group. >> >> >>>>>>> To unsubscribe from this group and stop receiving emails from it, >> >> >>>>>>> send an email to [email protected]. >> >> >>>>>>> To view this discussion on the web visit >> >> >>>>>>> https://groups.google.com/d/msgid/votca/3c0b76f3-ff3a-4013-8b74-d366e1e9c865n%40googlegroups.com. >> >> >>>>>> >> >> >>>>>> -- >> >> >>>>>> Christoph Junghans >> >> >>>>>> Web: http://www.compphys.de >> >> >>>>>> >> >> >>>>>> -- >> >> >>>>>> Join us on Slack: https://join.slack.com/t/votca/signup >> >> >>>>>> --- >> >> >>>>>> >> >> >>>>>> You received this message because you are subscribed to a topic in >> >> >>>>>> the Google Groups "votca" group. >> >> >>>>>> To unsubscribe from this topic, visit >> >> >>>>>> https://groups.google.com/d/topic/votca/C3L0xhdUs6s/unsubscribe. >> >> >>>>>> To unsubscribe from this group and all its topics, send an email >> >> >>>>>> to [email protected]. >> >> >>>>>> To view this discussion on the web visit >> >> >>>>>> https://groups.google.com/d/msgid/votca/CAHG27e7WZfOD2xdHy1AWWob7zNtdr5cBpYydNGp0WmA9sfqO9w%40mail.gmail.com. >> >> >>>>> >> >> >>>>> >> >> >>>>> >> >> >>>>> -- >> >> >>>>> Rishabh Debraj Guha(PhD student) >> >> >>>>> >> >> >>>>> Graduate Research Assistant >> >> >>>>> Mechanical and Aerospace Engineering >> >> >>>>> North Carolina State University >> >> >>>>> Contact:- +1-347-205-2280 >> >> >>>>> >> >> >>>>> -- >> >> >>>>> Join us on Slack: https://join.slack.com/t/votca/signup >> >> >>>>> --- >> >> >>>>> You received this message because you are subscribed to the Google >> >> >>>>> Groups "votca" group. >> >> >>>>> To unsubscribe from this group and stop receiving emails from it, >> >> >>>>> send an email to [email protected]. >> >> >>>>> To view this discussion on the web visit >> >> >>>>> https://groups.google.com/d/msgid/votca/CAFKQktCXqB_zefYDpusjSBnLkt%2B77vfkgnU-dovocsFsiiKUow%40mail.gmail.com. >> >> >>>> >> >> >>>> -- >> >> >>>> Christoph Junghans >> >> >>>> Web: http://www.compphys.de >> >> >>>> >> >> >>>> -- >> >> >>>> Join us on Slack: https://join.slack.com/t/votca/signup >> >> >>>> --- >> >> >>>> You received this message because you are subscribed to a topic in >> >> >>>> the Google Groups "votca" group. >> >> >>>> To unsubscribe from this topic, visit >> >> >>>> https://groups.google.com/d/topic/votca/C3L0xhdUs6s/unsubscribe. >> >> >>>> To unsubscribe from this group and all its topics, send an email to >> >> >>>> [email protected]. >> >> >>>> To view this discussion on the web visit >> >> >>>> https://groups.google.com/d/msgid/votca/CAHG27e6Kjvwxvv4suXuuqLSQ57AJeh_Vi-CepLi4A%3DXb9MmzWg%40mail.gmail.com. >> >> >>> >> >> >>> >> >> >>> >> >> >>> -- >> >> >>> Rishabh Debraj Guha(PhD student) >> >> >>> >> >> >>> Graduate Research Assistant >> >> >>> Mechanical and Aerospace Engineering >> >> >>> North Carolina State University >> >> >>> Contact:- +1-347-205-2280 >> >> >>> >> >> >>> -- >> >> >>> Join us on Slack: https://join.slack.com/t/votca/signup >> >> >>> --- >> >> >>> You received this message because you are subscribed to the Google >> >> >>> Groups "votca" group. >> >> >>> To unsubscribe from this group and stop receiving emails from it, >> >> >>> send an email to [email protected]. >> >> >>> To view this discussion on the web visit >> >> >>> https://groups.google.com/d/msgid/votca/CAFKQktBEGaPFAtudiU20y7Y-0pwe1jS2XXnvShd0kyXvfBLuOQ%40mail.gmail.com. >> >> >> >> >> >> -- >> >> >> Join us on Slack: https://join.slack.com/t/votca/signup >> >> >> --- >> >> >> You received this message because you are subscribed to a topic in the >> >> >> Google Groups "votca" group. >> >> >> To unsubscribe from this topic, visit >> >> >> https://groups.google.com/d/topic/votca/C3L0xhdUs6s/unsubscribe. >> >> >> To unsubscribe from this group and all its topics, send an email to >> >> >> [email protected]. >> >> >> To view this discussion on the web visit >> >> >> https://groups.google.com/d/msgid/votca/CAHG27e4ypf5Po8_zKmhBSbSTW_xgGBu09Bmj6Nsh8KdQtYJN-Q%40mail.gmail.com. >> >> > >> >> > >> >> > >> >> > -- >> >> > Rishabh Debraj Guha(PhD student) >> >> > >> >> > Graduate Research Assistant >> >> > Mechanical and Aerospace Engineering >> >> > North Carolina State University >> >> > Contact:- +1-347-205-2280 >> >> > >> >> > -- >> >> > Join us on Slack: https://join.slack.com/t/votca/signup >> >> > --- >> >> > You received this message because you are subscribed to the Google >> >> > Groups "votca" group. >> >> > To unsubscribe from this group and stop receiving emails from it, send >> >> > an email to [email protected]. >> >> > To view this discussion on the web visit >> >> > https://groups.google.com/d/msgid/votca/CAFKQktBH-gARMiCQR%2BdJVudO95mHB5ZZkf6odZJDxmp6U2a-nQ%40mail.gmail.com. >> >> >> >> >> >> >> >> -- >> >> Christoph Junghans >> >> Web: http://www.compphys.de >> >> >> >> -- >> >> Join us on Slack: https://join.slack.com/t/votca/signup >> >> --- >> >> You received this message because you are subscribed to a topic in the >> >> Google Groups "votca" group. >> >> To unsubscribe from this topic, visit >> >> https://groups.google.com/d/topic/votca/C3L0xhdUs6s/unsubscribe. >> >> To unsubscribe from this group and all its topics, send an email to >> >> [email protected]. >> >> To view this discussion on the web visit >> >> https://groups.google.com/d/msgid/votca/CAHG27e58qQRPUVC07BnJTeMtkm5StheQQTxsSQsDo_fOQz8Lcw%40mail.gmail.com. >> > >> > >> > >> > -- >> > Rishabh Debraj Guha(PhD student) >> > >> > Graduate Research Assistant >> > Mechanical and Aerospace Engineering >> > North Carolina State University >> > Contact:- +1-347-205-2280 >> > >> > -- >> > Join us on Slack: https://join.slack.com/t/votca/signup >> > --- >> > You received this message because you are subscribed to the Google Groups >> > "votca" group. >> > To unsubscribe from this group and stop receiving emails from it, send an >> > email to [email protected]. >> > To view this discussion on the web visit >> > https://groups.google.com/d/msgid/votca/CAFKQktD6b4Tqy%3DMAY6bS1BFwiSiXjtpYeGZ0ffg7Y3QAVLjaXA%40mail.gmail.com. >> >> >> >> -- >> Christoph Junghans >> Web: http://www.compphys.de >> >> -- >> Join us on Slack: https://join.slack.com/t/votca/signup >> --- >> You received this message because you are subscribed to a topic in the >> Google Groups "votca" group. >> To unsubscribe from this topic, visit >> https://groups.google.com/d/topic/votca/C3L0xhdUs6s/unsubscribe. >> To unsubscribe from this group and all its topics, send an email to >> [email protected]. >> To view this discussion on the web visit >> https://groups.google.com/d/msgid/votca/CAHG27e7OFP%2B_yTA0BNk4q07NbGfdH29QOpi0PoQ%3DdOPon2kTYA%40mail.gmail.com. > > > > -- > Rishabh Debraj Guha(PhD student) > > Graduate Research Assistant > Mechanical and Aerospace Engineering > North Carolina State University > Contact:- +1-347-205-2280 > > -- > Join us on Slack: https://join.slack.com/t/votca/signup > --- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To view this discussion on the web visit > https://groups.google.com/d/msgid/votca/CAFKQktB2v_gQSQxrnuwOk382V-N6FustzWs%3DoP8%3DY-A_0n2WRg%40mail.gmail.com. -- Christoph Junghans Web: http://www.compphys.de -- Join us on Slack: https://join.slack.com/t/votca/signup --- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To view this discussion on the web visit https://groups.google.com/d/msgid/votca/CAHG27e5AEia5NhbG3BPfb27Z2GTySAqoWR5BP%2BZX5edvimmjAQ%40mail.gmail.com.
