Re: AMBER: Restrained minimization problem

From: David A. Case <case.scripps.edu>
Date: Mon, 29 Nov 2004 15:27:41 -0800

On Mon, Nov 29, 2004, opitz.che.udel.edu wrote:
> > How can I resolve this problem to move on?

> Exceeding lastist in get_istack
> lastist = 2000000
> top_stk= 1786044
> isize = 232008
> request= 2018052
> Increase lastist in the &cntrl namelist

Add "lastist=4000000" to your &cntrl namelist; if that is not big enough,
make it even bigger, until the program stops complaining.

....dac

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Received on Mon Nov 29 2004 - 23:53:01 PST
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