Hi, Is it possible to write only the specified groups to the TRR trajectory like using xtc-grps key for XTC?
We calculate VACFs and so need velocities to be written but only the velocity of some groups are of interest, not of all the particles. The "full" TRRs take extremely huge space... Thanks. -- Vitaly V. Chaban School of Chemistry National University of Kharkiv Svoboda sq., 4, Kharkiv 61077, Ukraine email: [EMAIL PROTECTED] skype: vvchaban _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
