From: Ramya Narasimhan (ramyashree_81_at_rediffmail.com)
Date: Tue Jun 08 2010 - 05:32:34 CDT
I have few questions about TAMD in general.
1. Would the conformational sampling be more effective at higher temperature? (e.g.polypeptide)
2. How higher the temperature can be increased without the distortion of the molecule?
Even though these can be answered by performing actual TAMD, I want to have an idea before working with the testcase. Can someone quote the reference for this kind of MD?
Thanks in advance for any suggestions/comments.
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