[gmx-users] Electrostatics and VDW

Una Bjarnadottir una.bjarnadottir at ucd.ie
Tue Jan 24 13:34:00 CET 2006

Dear all,

Just to have the content of this discussion clear
and all other discussion on this matter.

When using coulombtype = PME  and vdw-type = Cut-off is it alright to 
have the;

rlist=rvdw=rcoulomb = 1
rvdw-switch=rcoulomb-swithc = 0

Or does it have to be;

rlist=rcoulmb = 0.9 and rvdw = 1.4

Is the 2nd thing only for cut-off but not for PME?

Thanks in advance for any replies, this is confusing me a lot.


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