Hi, On Thu, Oct 8, 2015 at 8:08 AM mah maz <mahma...@gmail.com> wrote:
> Hi Mark > > Thank you. I suppose grid can be used without PBC specially when the system > is in vacuum. > There are some parameters in the .mdp file that I haven't defined and I > don't want them to be applied during simulation. However in the mdout.mdp > They are present eg. gen-seed, emtol, ewald-rtol,.... Do they play a role > in the simulation? > Yes, gen-seed kills a kitten and ewald-rtol launches nuclear missiles ;-) (Stuff that configures inactive algorithms isn't active.) Mark -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
