[gmx-users] About implicit water simulations

Christian Mücksch muecksch at rhrk.uni-kl.de
Thu Sep 9 15:54:35 CEST 2010

  Dear users,

I got a question concerning simulations with implicit solvent. So far it 
is only possible to use this model when applying a cut-off for the long 
range electrostatic and vdW interactions which leads to bad energy 
conservation etc.

Will there be an update allowing to use reaction-field for instance or 
user-defined potentials with implicit solvent models?

Best regards,
Christian Mücksch

Christian Mücksch              Phone: +49 (0)631 205 4287
Department of Physics          Fax:   +49 (0)631 205 4965
TU Kaiserslautern              Email: muecksch at rhrk.uni-kl.de
Erwin Schrödinger Straße
67663 Kaiserslautern

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