Quoting liang <[EMAIL PROTECTED]>: > > Never couple solvent and ions separately. Check out: > > > http://wiki.gromacs.org/index.php/Thermostats > > > Try tc-grps = Protein Non-protein > > excuse me, if the system includes lipid bilayer, how should i set the > tc-prgs? > Protein + Lipids + Sol and Ion? > or Protein + Non-protein ?
I think either would work, but I've personally used protein, lipids, solvent + ions. As long as you're not coupling a very small amount of atoms/ions to its own bath then you should avoid problems. -Justin > > thanks ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
