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path: root/cad/plugins/GROMACS/mdrunner.sh
blob: e5454a8e112c8e0d975aef665c14a089a9a6a55e (plain)
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#!/bin/sh -x

GMXLIB=$1
$2 -s $3.tpr -o $3.trr -e $3.edr -c $3-out.gro -g $3-mdrun.log $4 $5 >$3-mdrun-stdout.txt 2>$3-mdrun-stderr.txt