Hi Marcelo, thanks a lot for your help!! > After doing the 'pdb2gmx', created the cell e filled with solvent, use the > "make_ndx" to create an index of your system. One of the groups should be > your residues that you want to freeze. Then, in your .mdp file, use > 'freezegrps' and 'freezedim' in your recently created group. > > Don't forget the -n yourindexfile.ndx in the grompp command line. It > should > work. > Good luck! > -- > Marcelo Depólo Polêto > Bolsista FAPEMIG > Laboratório de Infectologia Molecular Animal - LIMA > Departamento de Bioquímica e Biologia Molecular > Universidade Federal de Viçosa - UFV > Tel.: +55 31 3899-2911/2912 > MSN: [email protected] <[email protected]> > *Website: http://opensourcebioinformatics.com/site/* > -- > gmx-users mailing list [email protected] > 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 [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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