Re: AMBER: restart calculation

From: David A. Case <>
Date: Tue, 23 Nov 2004 08:39:37 -0800

On Tue, Nov 23, 2004, tang kwa wrote:

> I have to perfrom the next step by
> using the file.restrt to be a coordinate file. So I
> have set ntx=1 and irest = 0.

This sound incorrect. Use "file.restart" as the input coordinates for
the next step of dynamics, and set ntx=5 and irest=1.


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Received on Tue Nov 23 2004 - 16:53:00 PST
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