[gmx-users] Polarisable water model

Michael Bajomo bajomo at gmail.com
Tue Nov 29 17:04:23 CET 2005

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.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20051129/c6032865/attachment.html>

More information about the gromacs.org_gmx-users mailing list