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: mueck...@rhrk.uni-kl.de
Erwin Schrödinger Straße
67663 Kaiserslautern
Germany
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
