AMBER Archive (2008)

Subject: Re: AMBER: increasing temperature smoothly

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Mon Sep 22 2008 - 06:44:02 CDT

On Mon, Sep 22, 2008, Germain Vallverdu wrote:

> &wt
> type='TEMP0',
> istep1=1,
> istep2=20000,
> istep2=0,

You entered a value for "istep2" twice, and the second value (0)
overrides first one.

> Warning: ISTEP1 >= ISTEP2

This is correct, since you have istep1=1 and istep2=0.

...dac

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