Hi,
I want to simulate a protein in a membrane consisting of DPPC and
cholesterol. Has cholesterol been parameterized for lipid14? If not, could
you please instruct me how to use lipid11 parameters of cholesterol with
lipid14 parameters of DPPC? I presume it is more convoluted than simply
doing:
source leaprc.lipid11
cholesterol = loadPdb Protein_40Chol-60DPPC_onlyCholesterol.pdb
source leaprc.lipid14
source leaprc.ff14SB
loadamberparams frcmod.ionsjc_tip3p
prot_membrane = loadPdb Protein_40Chol-60DPPC_notCholesterol.pdb
complex = combine { prot_membrane cholesterol}
thanks in advance,
Thomas
--
======================================================================
Thomas Evangelidis
PhD student
University of Athens
Faculty of Pharmacy
Department of Pharmaceutical Chemistry
Panepistimioupoli-Zografou
157 71 Athens
GREECE
email: tevang.pharm.uoa.gr
tevang3.gmail.com
website: https://sites.google.com/site/thomasevangelidishomepage/
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Received on Fri Jul 11 2014 - 01:00:02 PDT
