mdrunner.bat « GROMACS « plugins « cad - nanoengineer - open-source nanotech CAD

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path: root/cad/plugins/GROMACS/mdrunner.bat

blob: 06753d7c383f6f96a892112459aa95918f363bc8 (plain)

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set 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