# source GMXRC.bash (or .csh, .sh)
to set environment variables or you can refer to it to set them manually.
Regards
On Mon, Mar 29, 2010 at 11:38 AM, Mu Yuguang (Dr) wrote:
> Hi all,
> When I use cvs version, pdb2gmx, it shows such error
>
> Program pdb2gmx_cvs, VERSION 4.0.99-dev-20100328-9
Hi all,
When I use cvs version, pdb2gmx, it shows such error
Program pdb2gmx_cvs, VERSION 4.0.99-dev-20100328-954f577
Source code file: pdb2top.c, line: 137
Fatal error:
No force fields found (files with name 'forcefield.itp' in subdirectories
ending on '.ff')
For more information and tips for t
om: [EMAIL PROTECTED]
> To: gmx-users@gromacs.org
> Subject: [gmx-users] cvs version and position restraints...
>
> Hi everyone,
>
> I have a small DNA duplex in a dodecahedron box. Amber forcefield.
Spce
> water. I have position restraints defined for the whole duplex in my
the most recent CVS version?
Berk.
> Date: Tue, 15 Jul 2008 18:17:10 +0200
> From: [EMAIL PROTECTED]
> To: gmx-users@gromacs.org
> Subject: [gmx-users] cvs version and position restraints...
>
> Hi everyone,
>
> I have a small DNA duplex in a dodecahedron box. Amber
Hi everyone,
I have a small DNA duplex in a dodecahedron box. Amber forcefield. Spce
water. I have position restraints defined for the whole duplex in my
topology. I'm running exactly the same input script on 2, 4 and on 12
cpus. The one with 12 produces a trajectory in which it is quite clear
On Mar 20, 2007, at 6:05 PM, David van der Spoel wrote:
Also, please beware that this is a development version and check
you results.
This cannot be stressed enough. CVS _will_ periodically break things,
sometimes in horrible ways. The only requirement we have of the head
branch is real
Sukit Leekumjorn wrote:
Dear Gmx-developer
This is regard to the CVS version. I came across Erik Lindahl's
presentation on Simulations of Membranes and Membrane Proteins from
Gromacs Workshop at CSC. At the end of the presentation, he mentioned
that the membrane simulations can be scale up
Dear Gmx-developer
This is regard to the CVS version. I came across Erik Lindahl's
presentation on Simulations of Membranes and Membrane Proteins from
Gromacs Workshop at CSC. At the end of the presentation, he mentioned
that the membrane simulations can be scale up to >1000 CPUs in CVS. If
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