Dear Nicola, Any number of users can use the top directory, with the choice of his/her force field. If anyone wants to edit the top files, then he can copy the top directory to somewhere and use the GMXLIB variable.
You can use the GMXLIB environment variable, and point your top directory's path to it. For more details refer http://www.gromacs.org/Documentation/Terminology/Environment_Variables. Chandan On Wed, May 21, 2014 at 2:52 PM, Nicola Staffolani <n.staffol...@unitus.it>wrote: > Dear GROMACS user community, > > I have the following problem: I would like to let a simulation run on a > computer where another simulation, prepared by another user, is already > running; my simulation and the simulation of the other user need different > topologies (I mean, for example, the files ffbonded.itp and ffnonbonded.itp > files stored in /usr/share/gromacs/top/forcefield.ff are different; or, to > make things more clear, let's suppose as a condition that user 1 needs to > use charmm27.ff and user 2 gromos43a1.ff). Does anybody know of any > solution where the number of computers is kept constant? What would happen, > for example, if I would put my topology files inside my local working > directory? > > Thank you very much in advance, > > Nicola > > -- > Nicola Staffolani PhD > Biophysics & Nanoscience Centre CNISM <http://www.unitus.it/biophysics> > Università della Tuscia > Largo dell'Università s.n.c., I-01100 Viterbo > email: n.staffol...@unitus.it > tel.: +39 0761 35 70 27; fax: +39 0761 35 71 36 > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- -- Chandan Kumar Choudhury National Chemical Laboratory, Pune India -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
