[gmx-users] g_dipoles_mpi
ayşe K
akafali84 at hotmail.com
Tue Jan 12 00:19:51 CET 2016
Dear Gromacs Users,
Some options do not run while I'm doing calculations by the programs of gromacs.
For example, I obtained the same results when I used the following command lines
g_dipoles_mpi -f traj.xtc -s topol.tpr -n index.ndx -normalize -o dipdist.xvg
g_dipoles_mpi -f traj.xtc -s topol.tpr -n index.ndx -nonormalize -o dipdist.xvg
Choice of normalize or nonormalize gave the same result and also I could not obtain unnormalize function although I chose -nonormalize.
What sould I do in order to activate the options in the programs?
Thanks,
Ayse.
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