[gmx-users] how to calculate ESP at certain position
fdmm1989 at gmail.com
Tue Aug 4 05:58:54 CEST 2015
I want to calculate electrostatic potential at a certain position in a box.
I check the available tools and found only g_potential is related with this.
However g_potential give the graph of potential vs. box length(may be z
So my first question: Is this potential value the potential at the COM of
the group I select?
Second question: how can I calculate the potential at certain position vs.
Mr. Meng Zhenyu
Division of Chemistry and Biological Chemistry
School of Physical and Mathematical Sciences
Nanyang Technological University
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