AMBER Archive (2006)

Subject: Re: AMBER: ntt=1 in simulated annealing

From: David A. Case (case_at_scripps.edu)
Date: Wed Nov 15 2006 - 10:46:58 CST

On Tue, Nov 14, 2006, Tanya Johannsen wrote:

> I tried gamma_ln=1.0 and my simulated annealing run
> didn't work at all--but I doubt that the gamma_ln is
> the culprit. For some reason the &wt section was
> completely ignored and the temperature simply rose to
> 300 K and stayed there.

This is a wild guess: are you running Amber 8 without bugfix.25 being applied?

....dac

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