cis/trans prolyl

From: sfrickenhaus (Stephan.Frickenhaus_at_awi.de)
Date: Sat Aug 11 2007 - 03:40:55 CDT

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Hi,
I need a hint for forcing a trans/cis-prolyl transition in MD.
How can I attach constraints in namd? How can I parameterize?
Wouldnt that make a nice tutorial?

Best reagards,
Stephan

-- 
Prof. Dr. Stephan Frickenhaus
 Alfred-Wegener-Institut f. Polar- u. Meeresforschung
 Am Handelshafen 12
 27570 Bremerhaven
 stephan.frickenhaus_at_awi.de
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 Hochschule Bremerhaven - Bio-Analytik, FB 1
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 27568 Bremerhaven
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