Thank you Justin To check Performance in GPU i Need to run simulation with same parameters for r coulomb = rvdw
rlist = 0.9 ; short-range neighborlist cutoff (in nm) rcoulomb = 1.4 ; short-range electrostatic cutoff (in nm) rvdw = 1.4 But i need to use twin range interaction with rvdw = 1.4; r coulomb = 0.9 in GPU May i use different option -nb or -tunepme option of mdrun instead -testverlet But in one mail to me you said that the defaut parameters for Gromos96 53A6, nstlist = 5 rlist = 0.9 rcoulomb = 0.9 rvdw = 1.4 but if i run on GPU regularly i need to change rcoulomb = 1.4 from 0.9 Will it Affect the result ? or is it reasonable to change ? Thanks in Advance -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
