----- Original Message ----- From: hong bingbing <[email protected]> Date: Friday, May 28, 2010 9:19 Subject: [gmx-users] Virial and Pressure To: [email protected]
----------------------------------------------------------- > Hi, everyone, > > Just ask if my interpretation is correct. Does the virial for pressure > calculation include all kinds of interactions, non-bonded and bonded? Yep. See appendix B1 for some details. > Is there a way to self-defined virial with only specified interaction > components? Not without writing code. Mark -- 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
