Re: [AMBER] RMSD do not increase with the increase of temperature

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Sat, 5 Sep 2020 01:05:12 -0700

How long did you let it run, in simulated time?

Bill

On 9/5/20 1:00 AM, ali akbar wrote:
> Dear all,
> For testing the possible thermal stability of a protein upon point
> mutation, we conducted MD simulation at 283, 298, 310 and 323K. We expected
> an increase in RMSD values upon increasing temperature. However, this
> effect was not seen in some mutations and some temperatures. What can be
> the reason?Do we have problems in MD running?
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Received on Sat Sep 05 2020 - 01:30:02 PDT
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