[gmx-users] CHARMM36 format POPC

Anirban Ghosh reach.anirban.ghosh at gmail.com
Wed May 2 14:19:17 CEST 2012


I was looking for a CHARMM36 format (atom-types) equilibrated POPC bilayer
(PDB/GRO) to use with the CHARMM36 FF in GROAMCS 4.5.5. I downloaded one
from Dr. Klauda's site (
http://terpconnect.umd.edu/~jbklauda/research/download.html), but that
popc.pdb (under CHARMM36 FF) seem to have different atom-types (like P1 in
place of P, etc.) and hence pdb2gmx throws up error when processed with
CHARMM36 FF option. Is there any CHARMM36 FF format equilibrated POPC
bilayer available online, or can someone provide, please?
Thanks a lot in advance.


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