[gmx-users] tip5p and charmm
Rafael I. Silverman y de la Vega
rsilverm at ucsc.edu
Tue Mar 4 01:07:55 CET 2014
I saw a post from a little while ago where someone (Justin?) said that
tip5p wasnt recommended for use with charmm27, so tip5p wanst included in
the watermodels.dat file.
I have found that my system blows up with tip5p, but tip4p and tip3p energy
minimize just fine.
And, I am also having problems getting pymol and chimera to open the .gro
file produced by mdrun with tip4p and tip5p. (VMD opens the .gro file
My questions are, is tip5p/charmm27 a good combination to use when trying
to model protein-prosthetic.group-water interactions?
And, is VMD my only option for visualizing the 4 and 5 point water models?
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