[gmx-users] CHARMM36 and Dispersion correction

Anirban Ghosh reach.anirban.ghosh at gmail.com
Thu May 3 15:08:22 CEST 2012


I am simulating a membrane protein immersed in a POPC bilayer using
CHARMM36 FF in GROMACS 4.5.5. In NVT and NPT (i.e. in equilibration and
production runs) should I use the dispersion correction or not (as
suggested in some previous posts)?
And if NOT using dispersion correction, then should I use "vdwtype" as
Any suggestion is welcome.


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