I would generally not try to add it to an existing source repository.
Instead, follow one of the suggestions in
http://www.gromacs.org/Developer_Zone/Git/Gerrit#How_do_I_get_a_copy_of_my_commit_for_which_someone_else_has_uploaded_a_patch.3f
to
check out that version.
Mark
On Tue, Oct 1, 2013 at
Dear Chris,
By now 7ns of the MD passed without a single warning.
Best Regards,
Grzegorz
P.s. The mdp:
constraints = none
integrator = md
dt = 0.001; ps
nsteps = 1000 ; total 10 ns
nstcomm = 1000
nstxout =
Hello everyone,
I would like to calculate angle tetrahedral order parameter of water
molecules as defined by Chau et al (eq 3). I am using g_hydorder of
gromacs 4.6.3 with my index group containing all oxygen atoms of water:
g_hydorder -f *.xtc -s *.tpr -o file1.xpm file2.xpm -or file_1.out
Hi Mark,
Thank you for your reply. Actually I am not trying to add it to the
repository.
I have gromacs 4.6 installed in my computer. When I was trying using
genbox, an error occurred caused by memory lacking. After searched this
mailing list, I got that extended genbox code that can fix my
On 10/1/13 10:58 AM, Tegar Nurwahyu Wijaya wrote:
Hi Mark,
Thank you for your reply. Actually I am not trying to add it to the
repository.
I have gromacs 4.6 installed in my computer. When I was trying using
genbox, an error occurred caused by memory lacking. After searched this
mailing
Since that patch is already merged, Tegar can just check out the (default)
master branch - see http://www.gromacs.org/Developer_Zone/Git. The CMake
build works the same way. I would suggest just using
your-build-directory/bin/genbox once you have built it, i.e. do not go to
the trouble of
Please provide me with necessary guidance. I have already posted this
thrice but have not got a single reply
Thanks in advance.
On Tue, Oct 1, 2013 at 3:40 PM, Nidhi Katyal nidhikatyal1...@gmail.comwrote:
Hello everyone,
I would like to calculate angle tetrahedral order parameter of water
On 2013-10-01 19:51, Nidhi Katyal wrote:
Please provide me with necessary guidance. I have already posted this
thrice but have not got a single reply
Thanks in advance.
On Tue, Oct 1, 2013 at 3:40 PM, Nidhi Katyal nidhikatyal1...@gmail.comwrote:
Hello everyone,
I would like to calculate
On 10/1/13 1:03 PM, Ehsan Sadeghi wrote:
Hello,
When I use pdb2gmx, the bonds between atoms in the generated conf.gro or conf. pdb file are
misplaced. I am using Avogadro for building the atomistic structure, it uses connect
command to connect atom correctly. After running pdb2gmx, the
Hallo everyone
I would like to know if anyone has installed gromacs4.6.3 with CPMD, or how
to monitor this installation?
I couldn't find the installation procedure in the manual of gromacs4.6
I am looking forwards any suggestions.
Thanks
Collins
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