[gmx-users] Umbrella sampling with temperature and pressure coupling method problem
li.dc06 at gmail.com
Tue Oct 19 14:58:41 CEST 2010
I want to use umbrella sampling to calculate the PMF of the
conformational transition of a protein. What temperature coupling method and
pressure coupling method should I use? Berendsen temperature coupling or
Nose-Hoover temperature coupling? Or each one is OK?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users