Hi guys!
I need to simulate some big conformational changes in some protein structure
and I came across a paper reporting that continuum solvation with low
solvent viscosity has proved good ensemble. Do you guys have any previous
experience with such MD conditions and what keywords I can use in Amber
script....
Thanks in advance
Best wishes
mahmoud
--
**************************************
Mahmoud E. Soliman
Computational Chemistry & Modeling (PhD)
Department of Chemistry
University of Bath
Bath
BA2 7AY
United Kingdom
[1]
http://people.bath.ac.uk/mess20/
[2]
http://www.bath.ac.uk/person/812559
Email:
[3]mess20.bath.ac.uk
[4]meelkot.zu.edu.eg
References
1.
http://people.bath.ac.uk/mess20/
2.
http://www.bath.ac.uk/person/812559
3. mailto:mess20.bath.ac.uk
4. mailto:meelkot.zu.edu.eg
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Received on Tue Mar 08 2011 - 12:30:04 PST
