AMBER Archive (2006)

Subject: RE: AMBER: heating system

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Tue Mar 21 2006 - 17:09:28 CST

> 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

/\
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|\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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