Hello, I have a protein which has 4 Thr residues on its one side. I want to calculate the potential energy and Sg of water molecules these Thr residues are facing (up to 10 angstrom). I have a 10ns trajectory and I might need only 5ns of it. How should I set my index file and which tools will help me? Thanks in advance for your helps. Regards,
Paymon -- 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
