Re: [gmx-users] CHARMM 36 force field

Hi Giovanni, Rather than me just provide you with an mdp file I would suggest that you go through the Klauda paper with a copy of the online GROMACS mdp options open (http://manual.gromacs.org/online/mdp_opt.html). This way you should be able to work out what the appropriate setting are yourse

[gmx-users] CHARMM 36 force field

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 c