That last procedure works. I really appreciate your help. The only other question I have is related to the selection process. Is there a way to select the oxygen atoms of water within a certain distance of a molecule, as well as the corresponding hydrogen atoms on the water molecule? Right now, I am able to select hydrogen atoms and oxygen atoms that are within a certain distance, but I would like to only select whole water molecules whose oxygen atoms are within a cutoff.
Thanks, Blake PhD Candidate Purdue University Ben-Amotz Lab -- View this message in context: http://gromacs.5086.x6.nabble.com/trjconv-for-pbc-tp5012160p5012188.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
