So for every residue I need to specify their atoms, am I right? 2012/1/31 Mark Abraham <mark.abra...@anu.edu.au>: > On 31/01/2012 7:06 PM, Андрей Гончар wrote: >> >> Hi! >> Is it possible to specify which residues to restrain during MD simulation? >> For example I have a protein, but I don't want to restrain all the >> molecule, but a part. >> How can I do this? >> > > See http://www.gromacs.org/Documentation/How-tos/Position_Restraints. You > need to choose the atoms and create a suitable [position_restraints] > section. > > Mark > -- > 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
-- Андрей Гончар -- 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
