Thanks Warren for your help, those were exactly the functions I was looking for!
However I'm still experiencing a bit of trouble because my simulated protein contained a heme cofactor and it seems to only let me extract one object. Have you had any experience with this? Parker On Sun, Jun 2, 2013 at 9:47 PM, Dallas Warren <[email protected]>wrote: > trjconv for trajectories > editconf for coordinate files > > Along with an appropriately generated index file (using make_ndx) which > contains the molecules you want in the output within a single group. > > Catch ya, > > Dr. Dallas Warren > Drug Discovery Biology > Monash Institute of Pharmaceutical Sciences, Monash University > 381 Royal Parade, Parkville VIC 3052 > [email protected] > +61 3 9903 9304 > --------------------------------- > When the only tool you own is a hammer, every problem begins to resemble a > nail. > > > > -----Original Message----- > > From: [email protected] [mailto:gmx-users- > > [email protected]] On Behalf Of Parker de Waal > > Sent: Monday, 3 June 2013 11:10 AM > > To: [email protected] > > Subject: [gmx-users] Removing Water from Final Simulation > > > > Hi GMX users! > > > > I just completed my first 30 ns simulation and would to remove all > > water > > molecules from the resulting .gro and trajectory files for the sake of > > my > > HDD. > > > > Does anyone know how to do this? > > > > Cheers, > > Parker > > -- > > 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 > -- > 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 > -- 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
