[gmx-users] Two different force field use in one simulation?

Mijiddorj Batsaikhan b.mijiddorj at gmail.com
Wed Oct 26 11:28:40 CEST 2016


Dear gmx users,

I would like to simulate a system that consists of 2 different membranes
and protein molecule. DOPI membrane model could not find from Charmm-gui
,embrane builder's models. I built the system DMPI membrane instead of
DOPI. Then I modified DMPIs to DOPIs, and got charmm27 force field
parameters using swissparam. Charmm-gui give me charmm36 parameters. I want
to use charmm27 for only DOPI. I have some questions.

(1) Is these type of modification possible to the simulations?

(2)  How can I convert charmm27 to charmm36 parameter?



Best regards,

Mijiddorj


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