Dear Bill Ross and Amber users,
> e.g. find the last step that completes, save pdb at that point
Thanks B. Ross for your interest and suggestion.
I used tleap in other super computer (very high RAM), it carried out my scripts without error and without killing of tleap. may be some issue of memory may be in earlier PC having less RAM.
Till now no error or killing in Super Comp.
thanks and regards;
JIomm
--- On Mon, 2/15/10, Bill Ross <ross.cgl.ucsf.edu> wrote:
From: Bill Ross <ross.cgl.ucsf.edu>
Subject: Re: [AMBER] limit of joining residues
To: amber.ambermd.org
Date: Monday, February 15, 2010, 10:10 PM
> 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 Wed Feb 17 2010 - 07:00:04 PST
