AMBER Archive (2005)

Subject: Re: AMBER: Error in minimization

From: Carlos Simmerling (carlos.simmerling_at_stonybrook.edu)
Date: Fri May 20 2005 - 07:57:37 CDT


go to the amber web page and do a search on the
error message. you should always do this and see
if it answers the question before asking others to
find it for you.

Priti Hansia wrote:
> Dear all,
>
> I am trying to run minimization on some proteins. For few of the proteins
> I get the following error:
>
> Exceeding lastist in get_istack
> lastist = 4000000
> top_stk= 3667872
> isize = 565248
> request= 4233120
> Increase lastist in the &cntrl namelist
>
> I run the following minimization script:
>
> #1000 cycles of minimization constant dielectric constant
> &cntrl
> maxcyc=1000,ncyc=50, imin=1,cut=9.0,
> ntpr=500,
> ntc=1,
> &end
>
> Can you tell me what the problem is.
>
> Thanks,
> -Priti
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-- 
===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor           Phone: (631) 632-1336
Center for Structural Biology Fax:   (631) 632-1555
Stony Brook University        Web:   http://comp.chem.sunysb.edu/carlos
Stony Brook, NY 11794-5115    E-mail: carlos.simmerling_at_stonybrook.edu
===================================================================

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