>> >> In other words, is information about the initial (in conf.gro) >> numbering of molecules present in the xtc trajectory file? Looking at >> the xtc using gmxdump I see the numbering always start with zero in >> spite of the xtc-qrps arguments. >> > All files number from 0 to natom-1. You have to do the remapping.
And the sequence of the groups in the xtc file is defined by the order in xtc-grps. Right? =============================== Vitaly V. Chaban, Ph.D.(ABD) School of Chemistry V.N. Karazin Kharkiv National University Svoboda sq.,4, Kharkiv 61077, Ukraine email: cha...@univer.kharkov.ua,vvcha...@gmail.com skype: vvchaban, mob.: +38-097-8259698 _______________________________________________ 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
