On Sun, Apr 7, 2013 at 9:55 PM, Juan Antonio Raygoza Garay <[email protected] > wrote:
> 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 -- ======================================== Justin A. Lemkul, Ph.D. Research Scientist Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ======================================== -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
