Unlikely possible... But yeah, the feature might be handy.
Dr. Vitaly V. Chaban On Thu, Sep 26, 2013 at 4:20 PM, grita <cemilyi...@arcor.de> wrote: > Hi guys, > > Is it possible to specify in the topol.top file preprocessor statements, so > that you can stop the simulation prematurely? > > I pull two molecules together and I'd like to stop the simulation if the > center of mass distance of the molecules is less than xx nm. > > Best, > grita > > -- > View this message in context: > http://gromacs.5086.x6.nabble.com/Preprocessor-statements-tp5011469.html > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > -- > 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 -- 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