I plan to put membrane, protein, water together and run simulations. I was suggested to run NAPzT simulaton (pressure is coupled only to z direction and the xy-corss area of the simulation box is a constant), because the force filed (c27) was optimized in NAPzT simulaton. I am wondering if i can run NPT simulation, where pressure is also coupled to xy direction with the newly developed charmm force field, such as c36? is c36 well developed so that i can use this force field just like c27?
Last edited by parachuter; 02/05/10 10:20 PM.