[gmx-users] GROMOS96 53A6 with extended Berger lipid parameters (Prasanna)

Prasanna Dr adveirprasanna at gmail.com
Tue Feb 13 11:08:38 CET 2018

Hi all,

The force field combination used in GROMOS96 53A6 with extended Berger
lipids contains L-J interaction cross-terms between protein lipid atom
types? If so how abnormally high L-J interactions are tackled?

In my case, to prepare the topology of my system (which contains proteins
and DPPC), I followed KALP15 in DPPC tutorial (version Gromacs 5.0 and
above) of Justin A. Lemkul.  Does this tutorial answers my first question?
Does I have employed force filed combination rules effectively?

Please help

D R Prasanna
Research Scholar
Computational  Biophysics Group

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