Hi Fernando, > I've obtained the vectors for the rectangular box in g_energy, > using Box_XX, Box_YY and Box_ZZ options; I didn't use the vectors of the > skewed box.)
You have to use the three vectors from the tricilinic representation to obtain the correct distance in the periodic system. Check PBC in Chapter 3 of the manual. Cheers, Tsjerk -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ 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
