[gmx-users] forcefield validation

Qin Shanshan sansanqin00 at mails.tsinghua.edu.cn
Wed Oct 17 11:44:56 CEST 2007

First, thanks very much for your instruction. If quantum chemical calculation does not have any physical meaning, how should I decide the partial charge for a molecule?

Any suggestion will be appreciated, thanks very much in advance.
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