Dear Gromacs users, I was wondering, is there any utility in Gromacs for calculating and saving a triangular matrix of interatomic distances from a trajectory frame? The website mailing list search seems to be down, and Google has not been of much help. g_rmsdist looks like it *might* be able to do this, but from the documentation I can't tell whether or not there is a set of switches that would allow one to turn off the averaging/rms calculation features and instead generate a single frame static distance matrix.
If Gromacs can't do this, can anyone recommend another program that could generate such matrices? This would not be hard to code, but time savers are always appreciated. :) Best Wishes, Nathan -- J. Nathan Scott, Ph.D. Postdoctoral Fellow Department of Chemistry and Biochemistry Montana State University -- 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
