Justin A. Lemkul skrev 2010-09-10 22.33:
ceste...@unsl.edu.ar wrote:
Hi all:
I´m using gromacs version 4.0.2 and a box type truncated octahedron for
the MD simulation.
I need to analyze hydrogen bonds with solvent (water)insertion.
I used the following command:
g_hbond –f *.xtc –s *.tpr –n
I think you are right.
2010/9/11 wuxiao xiaowu...@hotmail.com:
Dear GMXers,
I have a quad-core computer at hand, on which I would like to install a
parallel implementation of GMX-4.5.1. The homepage
(http://www.gromacs.org/About_Gromacs/Release_Notes/Version_4.5) refers to
running on a
Hi,
Gromacs 4.5 compiles with a built-in thread mpi library by default.
So you don't need --enable-mpi.
With built in thread-mpi mdrun has an option -nt with by default uses all
threads.
Berk
From: lida...@gmail.com
Date: Sat, 11 Sep 2010 05:19:57 -0400
Subject: Re: [gmx-users] About
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