[gmx-users] Genbox problem with TIP4P water with OPLS
Marc F. Lensink
lensink at bigre.ulb.ac.be
Wed Feb 18 16:07:09 CET 2009
On Thu, Feb 19, 2009 at 01:56:28AM +1100, Mark Abraham wrote:
> Chao Zhang wrote:
> >Hi Mark,
> >I think 3.3.2, does it be fixed in 4.0?
> I don't know - I've not seen it reported. You should search the mailing
> list archives.
I've solvated with tip4p in 3.3cvs and 3.3.1, never had the problem.
anyway, a `grep 'OW SOL' box.pdb | wc -l` will tell you how many
solvent molecules you have.
More information about the gromacs.org_gmx-users