[gmx-users] Simulating a large system
jalemkul at vt.edu
Mon Apr 8 04:12:11 CEST 2013
On Sun, Apr 7, 2013 at 9:55 PM, Juan Antonio Raygoza Garay <raygozag at psu.edu
> Hi, is it possible to instruct gromacs to only perform the dynamics on
> half of the system or protein while ignoring the rest?
You can use freezegrps to immobilize whatever you like, but you won't gain
any performance by doing so.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540)
More information about the gromacs.org_gmx-users