[gmx-users] g_dipole ? =>salt-molecule => Does Gromacs consider counter ions?
Chih-Ying Lin
chihying2008 at gmail.com
Fri Oct 22 00:49:56 CEST 2010
Hi
When I issued the command g_dipole,
the dialog poped out and asked me to select a group.
1. system
2. protein
....
.....
....
11. solvent
12. the rest of the salt-molecule except its counter ion
13. counter ions (CL-)
If I select #12, Gromacs will not consider counter ions to calculate the
dipole moment ???
Thank you
Lin
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