AMBER Archive (2006)

Subject: Re: AMBER: heating system

From: snoze pa (snoze.pa_at_gmail.com)
Date: Tue Mar 21 2006 - 17:39:15 CST

Dear Ross,
thanks a lot for your mail.
best snoze

On 3/21/06, Ross Walker <ross_at_rosswalker.co.uk> wrote:
> > Hi, I am trying to heat my system from 0 to 100. my minimixation steps
> > are working fine as shown in fig1 but the heating is distorting the
> > water box though protein remains stable. Anything wrong with my
>
> This is perfectly normal and explained in section 5.2.3 of the following
> tutorial: http://amber.scripps.edu/tutorial/polyA-polyT_New/minandmd3.html
>
> /\
> \/
> |\oss Walker
>
> | HPC Consultant and Staff Scientist |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
> | http://www.rosswalker.co.uk | PGP Key available on request |
>
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