Please anybody soothe me. If one uses xtc-grps is the order in the traj.xtc determined by the order in conf.gro or in xtc-grps.
For example, if we have in conf.gro SOL ION1 ION2 and xtc-grps = ION2 ION1 is the order in traj.xtc - ION1 then ION2 (as in conf.gro) or ION2 then ION1 (as in xtc-grps) ? Thank you. P.S. Well, I'm so lazy to dive into the code... :) =============================== Vitaly V. Chaban, Ph.D.(ABD) School of Chemistry V.N. Karazin Kharkiv National University Svoboda sq.,4, Kharkiv 61077, Ukraine email: [email protected],[email protected] skype: vvchaban, mob.: +38-097-8259698 _______________________________________________ gmx-users mailing list [email protected] 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
