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#36336 - 05/08/17 02:33 AM how to get electrostatic parameters?
fanfaner650 Offline
Forum Member

Registered: 05/08/17
Posts: 1
I want to calculate electrostatic contributions,but I do not know where I can find the parameters.

#36337 - 05/08/17 05:18 AM Re: how to get electrostatic parameters? [Re: fanfaner650]
lennart Offline

Forum Member

Registered: 09/25/03
Posts: 4742
Loc: ~ 59N, 15E
Your statement is rather open, so it is difficult to give a precise comment, but partial charges are in the Residue Topology File (RTF), in the toppar subdirectory tree of your CHARMM distribution.
Lennart Nilsson
Karolinska Institutet
Stockholm, Sweden


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