[gmx-users] g_current

Nilesh Dhumal ndhumal at andrew.cmu.edu
Tue Apr 15 17:51:05 CEST 2014


Hello,


I am trying to calculate the correlation of the rotational and
translational dipole moment of the system using g_current.

There are 864  water molecules in the system.

I run the following command, but its not writing the mc.xvg.
g_current -f water.trr -s water.tpr -mc

Could you tell whats going wrong?

I am using Gromacs VERSION 4.5.5.

Nilesh



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