**From:** AB (*albumns_at_hotmail.com*)

**Date:** Thu Jul 21 2011 - 11:49:39 CDT

**Next message:**Jeffrey Potoff: "Re: how to calculate partial charge for ligand based on CHARMM principle?"**Previous message:**Andy Somogyi: "Molecule2.C"**Next in thread:**Jeffrey Potoff: "Re: how to calculate partial charge for ligand based on CHARMM principle?"**Reply:**Jeffrey Potoff: "Re: how to calculate partial charge for ligand based on CHARMM principle?"**Messages sorted by:**[ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hello:

I've got a modified small peptide and I would like to calculate the partial charge for the non-standard group in this derived peptide. For it would be used for MD simulation based on CHARMM FF, so I am wondering how can I calculate partial charge for the non-standard group based on CHARMM principle?

Thank you very much

**Next message:**Jeffrey Potoff: "Re: how to calculate partial charge for ligand based on CHARMM principle?"**Previous message:**Andy Somogyi: "Molecule2.C"**Next in thread:**Jeffrey Potoff: "Re: how to calculate partial charge for ligand based on CHARMM principle?"**Reply:**Jeffrey Potoff: "Re: how to calculate partial charge for ligand based on CHARMM principle?"**Messages sorted by:**[ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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