[gmx-users] CHARMM 36 force field

Giovanni Mancini g_mancini at ymail.com
Thu Oct 6 20:39:54 CEST 2011

Dear Tom, 

   Thank you very much for your answer. I am aware of the paper you suggested but it is not clear for all mdp parameters. My intent is the simulation of a small organic molecule into the DPPC membrane making use of the CHARMM36 force field. There are significant differences when I change some mdp parameters, according to the advice from the gmx-user list. If there is a checked set of the above parameters that are really work with the NPT ensemble, may I have access to it?

Best regards

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