Hi everybody, In order to use an old set of analysis programs, I would like mdrun to ouput my trajectory in gromos-96 format. Is this possible ?
I understand that I could convert the .xtc file with trjconv. I need rather high precision, but I am uncertain about the meaning of the parameter xtc_precision; what does it mean? Another quite unrelated question; most examples I have looked at use rvdw = 1.0, regardless of the force field; however, the manual states that, with GROMOS force fields, one should use rvdw >= 1.4; which is correct ? Thank you in advance for your help JP Grivet -- gmx-users mailing list [email protected] http://lists.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
