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
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