[gmx-users] opls tip4p

Kay Gottschalk kay.gottschalk at weizmann.ac.il
Tue Jul 1 11:10:01 CEST 2003

Hi there,

I'm trying to use opls with tip4p; I changed the tip4pgmx.itp, solvated 
the system and added ions. Than I wanted to update the topology with 
pdb2gmx, but it complained that in the rtp database it cannot find MW 
for HOH. Indeed, in the ffoplsaa.rtp, [HOH] is defined for SPC water - 
should I change the rtp or is there another way of dealing with it?

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