Hi Giovanni,
Yes it can, but the behaviour of the membrane can be quite dependent on
the simulation parameters used.
Check out this the mailing list archives for more details about this. I
would advise using the simulation parameters as used in the CHARMM36
paper of Klauda et al. and you should be fine.
Cheers
Tom
Giovanni Mancini wrote:
Dear GROMACS users,
I am interested in simulating a DPPC membrane with CHARMM 36 force
field in GROMACS. The charmm36.ff_4.5.4.tgz was downloaded by the
following web page:
http://www.gromacs.org/Downloads/User_contributions/Force_fields. When
the membrane is simulated in NPz(A=0.64nm^2)T ensemble all goes fine
but if I turned to NPT ensemble (P=1bar in z direction and 1bar for the
lateral pressure) the area per lipid reduces significantly. My question
is whether the CHARMM36 force field can be employed with the NPT ensemble?
Best regards
Giovanni
--
Dr Thomas Piggot
University of Southampton, UK.
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