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how to get electrostatic parameters?
#36336 05/08/17 06:33 AM
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I want to calculate electrostatic contributions,but I do not know where I can find the parameters.

Re: how to get electrostatic parameters?
fanfaner650 #36337 05/08/17 09:18 AM
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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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