thanks Mark and Tsjerk i got it..!
--- On Mon, 4/11/11, Tsjerk Wassenaar <[email protected]> wrote: From: Tsjerk Wassenaar <[email protected]> Subject: Re: [gmx-users] orientational relaxation To: "Discussion list for GROMACS users" <[email protected]> Date: Monday, April 11, 2011, 10:54 PM Hi Daniel, If you want to fix the com position, specify the molecule as comm-grps. If you really don't want movement of the com, and use pressure coupling, first put the molecule at the origin. Hope it helps, Tsjerk On Apr 12, 2011 7:28 AM, "Mark Abraham" <[email protected]> wrote: > yes , position restraints of molecules that only allow to orient. What's your question? Most tutorials will use position restraints at some stage. There's theory discussion in the manual. Mark > > regards. > > --- On Mon, 4/11/11, Mark Abraham <[email protected]> wrote: >> >> >> From:... -- 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 -----Inline Attachment Follows----- -- 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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