[gmx-users] charges for rtp file.

吴显辉 nanyu101 at sina.com
Wed Nov 20 08:27:27 CET 2002

   I just want to create a rtp file for an ester. I do know how to get the atom type, mass, bonds, impropers etc.But there some troubles in determining charges about ervery atom? How can I manage it?

Xianhui Wu

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