[gmx-users] combining gromos96 (43a2) and berger lipid force field
anoddlad at yahoo.com
Wed Nov 7 20:38:31 CET 2007
The quick answer would be to look at the ffgmx forcefield, and the ffgmx/Berger hybrid that can be obtained (either from Tieleman or the Gromacs website, I forget) and work out how the former was incorporated into the latter. Then replicate that for ffG43a2.
Not necessarily simple or even valid, but that's MD for you.
----- Original Message ----
From: maria goranovic <mariagoranovic at gmail.com>
To: gmx-users at gromacs.org
Sent: Wednesday, November 7, 2007 7:24:11 PM
Subject: [gmx-users] combining gromos96 (43a2) and berger lipid force field
I want to use the gromos96 force field for the protein, and Tieleman's
Berger force field for the lipids. How do I combine force fields or
construct a topology. I have different topologies for the lipids and
the protein ready. However combining them would probably lead to
errors as I cannot include both the ffG43a2 and the ffgmx force fields
in the same topology ?
Thanks for the help,
Technical University of Denmark
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