[gmx-users] Gromacs vs. Ab initio charges

Ing. Vojtěch Spiwok Vojtech.Spiwok at vscht.cz
Fri May 2 09:05:01 CEST 2003

Good Morning
As Gromacs charges are usually lower than those calculated
ab initio by for example Kollman/Singh method is there any
way how to make them compatible with Gromacs by for
example multiplication of them by some factor ?
Vojtech Spiwok
ICT Prague

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