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
