[gmx-users] opls tip4p

[Kay Gottschalk]

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?
thanks,
Kay.