Hi, I need some help.
In these days, I install one NVIDIA target (GTX 760 on UBUNTU 12.04),
together with
toolkit 5.5 of CUDA. Apparently CUDA runs fine, the problem is that
I can't to compile GROMACS in CUDA, I think that have some mistake in
the
installation of cuda, may I somebody help me
On 2013-12-20 07:23, hummingbird wrote:
I am doing a simulation of a system including a peptide made up of 36 D-amino
acid residues. I am a new user and have no idea how to process D-amino acid.
When I try pdb2gmx, all residues are changed to L-type in the output GRO
file.
Could anybody help?
Not sure, might be something going wrong due to large dimension of your
matrix. Which Gromacs version you are using. Others may provide some clues.
On Fri, Dec 20, 2013 at 10:04 AM, Nidhi Jatana nidhijat...@bic-svc.ac.inwrote:
Dear Sir/Madam
Please find attached the file containing the error.
I am using gromacs version 4.6.
On Fri, Dec 20, 2013 at 2:39 PM, bipin singh bipinel...@gmail.com wrote:
Not sure, might be something going wrong due to large dimension of your
matrix. Which Gromacs version you are using. Others may provide some clues.
On Fri, Dec 20, 2013 at 10:04 AM,
How do you fix the matrix size? Should I do it while generation of .xpm
file or while converting it to .eps and using which option?
Regards
Nidhi
On Fri, Dec 20, 2013 at 3:35 PM, Carsten Kutzner ckut...@gwdg.de wrote:
On 12/20/2013 10:09 AM, bipin singh wrote:
Not sure, might be something
On 12/19/13 7:33 PM, Robert Darkins wrote:
On 19/12/13 23:31, Justin Lemkul wrote:
On 12/19/13 6:14 PM, rdwducl wrote:
Thanks for the reply Justin but I'm confused. Why must the atoms be bonded?
Ultimately I plan to model micellisation whereby surfactants, which only
interact with each
Hi Justin,
Thanks for your reply. I agree with you that the .mdp file rlist=rcoul=rvdw
cutoff is really being applied,
but the documentation in the manual about tabulated interaction functions does
not
give me the impression that that is the intent. It reads like the user can have
different
