AMBER Archive (2006)

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

From: David A. Case (case_at_scripps.edu)
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

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