[gmx-users] Polarisable water model
bajomo at gmail.com
Tue Nov 29 17:04:23 CET 2005
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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