[gmx-users] excluding electrostatic interactions
Sikandar Mashayak
symashayak at gmail.com
Tue May 3 23:30:16 CEST 2011
Hi
I want to compute only the non-bonded ( LJ + EL) interactions between
Protein and Solvent and exclude non-bonded interactions between Protein
Protein & SOL SOL.
But energy exclusion group does not necessarily exclude the non-bonded
electrostatic interactions while using PME option for coulombtype.
So I am just wondering if I were to compute electrostatic interactions
between just Protein SOL with PME, how can I do that?
thanks
sikandar
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110503/89e16de0/attachment.html>
More information about the gromacs.org_gmx-users
mailing list