Dear gromacs-users, First of all thanks to all contributers of the answers considering my first issue, actually this was my first simulation on gromacs, so maybe this explains my kind of unnecessary questions ;-)
Anyway, again a probably easy to solve problem: I only got the possibility to run all the gromacs programs on a single processor engine, in addition to that I have access to a unix cluster (206 x 2 Intel Xeon 3.2 GHz), where ONLY mdrun_mpi was installed. It's in heavy use, so I can't just try if something works, I have to wait a day or two, till I can find out, if a simulation worked or not. I read in the manual, that I would have to use the same amount of nodes (option -np of mdrun_mpi) as I typed in at grompp, but this option doesn't exist in my version of grompp installed on an serial computer. So my question is: Is this a problem? In the case of an existing problem, is there any possibility to solve it, without installing anything on the cluster? Thanks in advance to everyone contributing. and just to everybody: Have a nice weekend. -- GMX FreeMail: 1 GB Postfach, 5 E-Mail-Adressen, 10 Free SMS. Alle Infos und kostenlose Anmeldung: http://www.gmx.net/de/go/freemail _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
