AMBER Archive (2004)

Subject: Re: AMBER: Restrained minimization problem

From: David A. Case (case_at_scripps.edu)
Date: Mon Nov 29 2004 - 17:27:41 CST


On Mon, Nov 29, 2004, opitz_at_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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