[gmx-users] Protein Membrane SImulation using CHARMM 36 forcefield

Roshan Shrestha roshanpra at gmail.com
Mon Oct 3 16:43:54 CEST 2016


I want to perform membrane protein simulation similar to justin's KALP
tutorial, but using charmm 36 forcefield instead. I will be using POPC
model membrane, the charmm36 based coordinates for which can be found in
http://terpconnect.umd.edu/~jbklauda/research/download.html But, I am not
sure if only coordinate files are sufficient to build the membrane since I
could not find the other lipid parameters like POPC.itp and lipid.itp as
such. How can I obtain these parameters as well for building my POPC
membrane compatible to CHARMM 36 forcefield. Thanks

-- 
Roshan Shrestha
Graduate Student
Central Department of Physics,Tribhuvan University
Kathmandu,Nepal


More information about the gromacs.org_gmx-users mailing list