AMBER Archive (2006)

Subject: Re: AMBER: simulated annealing run--temp won't rise

From: David Case (
Date: Fri Feb 03 2006 - 00:46:00 CST

On Thu, Feb 02, 2006, Kenley Barrett wrote:
> I am trying to run a simple simulated annealing run, and for some reason the
> temperature is rising to 300 degrees and staying there (rather than rising
> to 1000 and then cooling the way I want it to). I have cut and pasted my
> input file below, and I would be very grateful if someone could tell me what
> mistake I am making.

You need to set nmropt>0 to use the time-varying target temperature option. I
know this is not intuitive (since you are probably not doing anything related
to NMR) but there you are.....


The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to