Thanks a lot Peter.<div>Will try out with this.</div><div><br></div><div>-Anirban<br><br><div class="gmail_quote">On Wed, May 2, 2012 at 9:42 PM, Peter C. Lai <span dir="ltr"><<a href="mailto:pcl@uab.edu" target="_blank">pcl@uab.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><a href="http://uab.hyperfine.info/~pcl/files/popc36/" target="_blank">http://uab.hyperfine.info/~pcl/files/popc36/</a><br>
<br>
These were generated for the following work: (please reference):<br>
Lai, P.C. and Crasto, C.J.<br>
Beyond Modeling: All-Atom Olfactory Receptor Model Simulations<br>
Front. Gene.<br>
Volume 3 Year 2012 Number 61<br>
DOI: 10.3389/fgene.2012.00061<br>
<div><div class="h5"><br>
On 2012-05-02 05:49:17PM +0530, Anirban Ghosh wrote:<br>
> Hi ALL,<br>
><br>
> I was looking for a CHARMM36 format (atom-types) equilibrated POPC bilayer<br>
> (PDB/GRO) to use with the CHARMM36 FF in GROAMCS 4.5.5. I downloaded one<br>
> from Dr. Klauda's site (<br>
> <a href="http://terpconnect.umd.edu/~jbklauda/research/download.html" target="_blank">http://terpconnect.umd.edu/~jbklauda/research/download.html</a>), but that<br>
> popc.pdb (under CHARMM36 FF) seem to have different atom-types (like P1 in<br>
> place of P, etc.) and hence pdb2gmx throws up error when processed with<br>
> CHARMM36 FF option. Is there any CHARMM36 FF format equilibrated POPC<br>
> bilayer available online, or can someone provide, please?<br>
> Thanks a lot in advance.<br>
><br>
><br>
> Regards,<br>
><br>
> Anirban<br>
<br>
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Peter C. Lai | University of Alabama-Birmingham<br>
Programmer/Analyst | KAUL 752A<br>
Genetics, Div. of Research | 705 South 20th Street<br>
<a href="mailto:pcl@uab.edu">pcl@uab.edu</a> | Birmingham AL 35294-4461<br>
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