Seems like a bug. Please open an issue at redmine.gromacs.org, and be sure
to mention the GROMACS version.
Why are you using -pd?
On Sep 4, 2013 2:20 AM, "Nilesh Dhumal" wrote:
> Hello
>
> I am running a simulation with charge and without charge for 128 pairs of
> bmim-tf2n ioinc liquids.
> This
Hello
I am running a simulation with charge and without charge for 128 pairs of
bmim-tf2n ioinc liquids.
This is the command for the original run without charge
mdrun -s gs.tpr -o gs.trr -c 0.pdb -e gs.edr -g gs.log -pd -nt 8
This is the command for the rerun with charge
mdrun -s es.tpr -o es.trr
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