On Fri, Apr 20, 2012 at 14:49, Olivia Waring owar...@princeton.edu wrote:
My invocation of mdrun, using 8 processors and the following mdp file:
...
There are: 1184 Atoms
...
DD step 4 load imb.: force 181.0%
Not all bonded interactions have been properly assigned to the domain
Hi Gromacs users,
My invocation of mdrun, using 8 processors and the following mdp file:
title = Alkanethiol SAM MD
; Run parameters
integrator = md; leap-frog integrator
nsteps = 50; 25 * 40 = 1000 ps, 1 ns (actually .2ns
now)
dt =
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