[gmx-users] NVE ensemble speed

Linda fuwei at adrik.bchs.uh.edu
Fri May 7 00:02:01 CEST 2004

Hi, all, 

	I have further question about NVE ensemble. by setting lincs_order = 8, rlist > rcoulomb or rvdw, vdw_type=switch, fourierspacing=1.0, ewald_rtol = 2.2e-5, suppose time step=2 fs, does it decrease the speed of MD simulation? Anyone has experience on it?



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