Syma, The answer is yes. However, they have to be part of the same molecule "description". That is, they have to be listed in the same [ atoms ] section and so on. You neeed GROMACS to consider them to be part of the same "molecule", which it can do without having bonds between them.
David On 4/11/06, syma <[EMAIL PROTECTED]> wrote: > Hi, > > I was just wondering if is possible, in gromacs to apply distance restraints > between molecules. So I have two ligands (part of the same complex) that I > would like to keep together, even though they are not actually bonded > together. > > > Thanks in advance, > > -Syma > > *************************************************** > > Dr Syma Khalid > Department of Biochemistry, > University of Oxford > South Parks Road, > Oxford > OX1 3QU > U.K. > > > > *************************************************** > > > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > 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/mailing_lists/users.php > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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/mailing_lists/users.php
