VMD-L Mailing List
From: Thomas C. Bishop (bishop_at_latech.edu)
Date: Tue Sep 04 2012 - 13:19:51 CDT
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I have a nucleosome simulation both in vac. and w/ solvent and a hormone
receptor complex.
for demonstration purposes as part of the Little Fe portable parallel
computer project (littlefe.net)
but neither are published as IMDs.
you can download the inputs and descriptors from
http://dna.engr.latech.edu/~bishop/LittleFe/
The nucleosome simulation is based on
_*T.C. Bishop.*_ Conformation and Dynamics of Nucleosomal and Free DNA.
J. Biol. Struc. Dyn. 22(6): 673-686, 2005.
Let me know if that's of any use.
They both need a bit of cleanup so if you use them please send back any
improvements you make.
Cheers,
TOm
On 09/04/2012 12:02 PM, Marc Baaden wrote:
> Dear All,
>
> I am looking for the largest interactive simulations (eg using the IMD
> protocol between VMD and NAMD) that have been published to date. From the
> VMD website I could only gather examples that are a few years old and I
> was wondering whether I have missed some exciting recent applications of
> IMD for big biomolecular systems.
>
> Thank you very much in advance,
> Marc Baaden
>
-- ******************************* Thomas C. Bishop Tel: 318-257-5209 Fax: 318-257-3823 www.latech.edu/~bishop ********************************
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