Dear Gromacs Community, I m in the situation where I have a trajectory that started in a geometric position "A" and ended in position "B". If I hit a new mdrun with the "-append" extension, than the trr output is the old trajectory together with the new one which starts at position "B". Unfortunately I want the new trr output to be the old trajectory together with the new one which should start again at position "A". The new trajectory should differ from the old one, since I have random seed on.
My question is, how do I get gromacs to do that? Is it enough if I just don't pass a Checkpoint file, or should I construct a checkpointfile from the first frame? To get a checkpointfile from the first frame I guess I have to start a trajectory with 1 timestep - or is there a smarter way? Thank you guys and sorry for my english, best regards, Dubi -- View this message in context: http://gromacs.5086.x6.nabble.com/Exdending-tp5007871.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
