Re: [AMBER] limit of joining residues

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Mon, 15 Feb 2010 14:10:00 -0800 (PST)

> No warnings were there while running scripts, the tleap got just
> killed, after my PC got hanged.

If leap got killed without a stack printout, I return to the
possibility that it just used up all available memory somehow.

I would try to find a simple test case, e.g. find the last step
that completes, save pdb at that point, then try writing a 2-step
script to loadpdb and hopefully reproduce the error. (If the error
does not reproduce, you may be able to continue from there.)

Bill

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Received on Mon Feb 15 2010 - 14:30:02 PST
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