[gmx-users] Cut-off coulombtype heats my system in SPC water
hanming at iccas.ac.cn
Wed Oct 6 04:40:57 CEST 2004
I solvate my molecules in SPC water.I do not use PME but Cut-off as
coulombtype in my .mdp file in order to save some simulation time.
However, I found the temperature after equilibration is 12 degree bigger
than 300K in my system.In this simulation I only care the properties such
as rdf, msd and gyration. Do I need to do a new simulation by using PME
because of the higher temperature?
Thanks a lot.
More information about the gromacs.org_gmx-users