g_select can make such a selection and write it to a group in an index file that trjconv can then use. But if you want to apply the operation to multiple frames, then you will need to do some scripting along those lines.
Mark On Sat, Jun 15, 2013 at 8:05 PM, rankinb <rank...@purdue.edu> wrote: > Is there a way to create a .gro file with the XYZ coordinates of atoms that > are within a specified distance of another atom at each time frame? It > seems that trjconv should be able to do this but I am having a difficult > time figuring it out. > > Thank you, > Blake > > > > -- > View this message in context: > http://gromacs.5086.x6.nabble.com/XYZ-Cordinates-of-a-subsset-of-atoms-tp5009195.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
