Thank you!! > On Fri, Jul 27, 2012 at 11:37 AM, > <reising...@rostlab.informatik.tu-muenchen.de> wrote: >> Hi everybody, >> I want to minimize only the hydrogen atoms of my protein but NOT the >> rest >> of it. [...] >> SO is there are possibility to completely fix those atoms. So that they >> just do not move? >> > > You can try the freezegrps and freezedim options in the MDP file. See > Section 7.3.24 of the manual. > > Regards, > -- > Elton Carvalho > Tel.: +55 11 3091-6985/6922 > Dept Física dos Materiais e Mecânica > Instituto de Física > Universidade de São Paulo > P.O. Box 66318 - 05314-970 São Paulo-SP, Brazil > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Only plain text messages are allowed! > * 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 >
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