AMBER Archive (2006)

Subject: Re: Fwd: AMBER: sander error: rst file crash

From: David A. Case (
Date: Sun Nov 12 2006 - 20:44:48 CST

On Sat, Nov 11, 2006, jitrayut jitonnom wrote:
> I try to add the size of box at the end of the rst file(90x90x90). But it
> still has error....

You need to go back to earlier steps: why are you trying to add the box
information by hand? The usual procedure is to use the setBox (or related
commands) in LEaP to do this. Trying to hand-edit restart files is only
recommended for people with a fair amount of experience, and even then, only in
special circumstances. I'm not sure if either of these applies to you.

...good luck...dac

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to