[gmx-users] CHARMM36 force field

[Giovanni Mancini]

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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