[AMBER] elevated temperature MD

From: Steve Seibold <seibold.chemistry.msu.edu>
Date: Mon, 19 Apr 2010 13:10:08 -0400

I apologize for this being a general question and not a proper "AMBER" one, but would sincerely appreciate any insight or short response/direction from the experts. I searched the literature, but I could not find a review that stated the consensus on these issues.

How well are force fields adapted to higher temperatures? Are not the force fields generated and tested using temperatures at ~300K? I have looked in the literature and found that the helix structure appears to be over stabilized at higher temps, and so, is it safe to say that at higher temperatures (~400K and higher) protein simulations are more qualitative and exploratory than accurate in their residue contacts?

Thank you,

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Received on Mon Apr 19 2010 - 10:30:02 PDT
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