[gmx-users] g_dipoles

Nilesh Dhumal ndhumal at andrew.cmu.edu
Sun Apr 27 22:01:39 CEST 2014


Hello,

I run g_dipoles for two different systems (System are ionic liquids).

For one system when I run g_dipoles I get following message

There are 256 molecules in the selection
There are 256 charged molecules in the selection,
will subtract their charge at their center of mass


and I don't get this message for other system.

Why program subtract their charge at their center of mass for one system
and not for other.

Nilesh



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