[gmx-users] CHARMM36 format POPC

[Peter C. Lai]

http://uab.hyperfine.info/~pcl/files/popc36/

These were generated for the following work: (please reference):
Lai, P.C. and Crasto, C.J.
Beyond Modeling: All-Atom Olfactory Receptor Model Simulations
Front. Gene.
Volume 3 Year 2012 Number 61
DOI: 10.3389/fgene.2012.00061      

On 2012-05-02 05:49:17PM +0530, Anirban Ghosh wrote:
> Hi ALL,
> 
> 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.
> 
> 
> Regards,
> 
> Anirban

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Peter C. Lai			| University of Alabama-Birmingham
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