[gmx-users] Polarisable water model
dmobley at gmail.com
Tue Nov 29 19:53:22 CET 2005
What error message did you get? (How did you fail?)
On 11/29/05, Michael Bajomo <bajomo at gmail.com> wrote:
> Hi Guys,
> I want to include polarizable water in my simulations. After a suggestion by
> David van der Spoel I tried manually editing the .top file for a protein in
> a box of non polarizable water (i.e. adding the water molecules as residues
> and including " shell.itp" under [SOLVENT]) but I failed. Where do you think
> I have gone wrong.
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