On Mon, Jan 14, 2013 at 9:23 PM, santhosh <[email protected]> wrote: > I want to output pdb during the run. Before every integration step, I want > to output the current configuration of the system.
Before an integration step is after the previous integration step, which is where the normal trajectory writing happens... so it's still not clear how your desired mode of operation differs from what GROMACS currently offers. Cheers, Bogdan -- 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
