AMBER Archive (2003)

Subject: AMBER: 'high' temp. simulation!!

From: Pradipta Bandyopadhyay (pradipta_at_cgl.ucsf.edu)
Date: Fri Sep 19 2003 - 15:09:05 CDT

 How high one can go in temperature for protein simulation (using AMBER)?
I am sure it would be system specific and will depend on a lot of parameters.
Though my question is vague, I am wondering if anyone has a feeling about
that temperature. Any experiece, reference would be appreciated a
lot. Also, some of the amber parameters (which are derived
from thermodynamic quantities) are for room temp. - can it be an issue?

thanks.

       Pradipta

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