Hi all, I followed center of mass (COM) between lids region (two loops covering the entrance of active site) during simulation to see its action of opening and closing. Normally COM varies for all simulation of my protein (Wild and its mutant variant) is between 17A to 20A. Now I want to find out the average opening size (Pore or channel size) during simulation through which the substrate believed to reach the active site. How to do it either within or outside of gromacs?
With thanks! B.Nataraj -- raja [EMAIL PROTECTED] -- http://www.fastmail.fm - Accessible with your email software or over the web _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
