[gmx-users] Electrostatics and VDW
una.bjarnadottir at ucd.ie
Tue Jan 24 13:34:00 CET 2006
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
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.
-------------- next part --------------
A non-text attachment was scrubbed...
Size: 250 bytes
Desc: not available
More information about the gromacs.org_gmx-users