Re: AMBER: error in minimization

From: Itziar Maestre Asenjo <itziar.qorws1.uab.es>
Date: Thu, 15 Jan 2004 07:58:46 +0100

Thank you very much

it worked!!!!!


"David A. Case" wrote:

> On Tue, Jan 13, 2004, Itziar Maestre Asenjo wrote:
>
> > Exceeding lastrst
> > lastrst = 2000000
> > top_stk= 1981176
> > isize = 150744
> > request= 2131920
> > Increase lastrst in the &cntrl namelist
> >
> > Can someone tell me, how do I have to change the input file to run the
> > minimization?
> >
>
> You need to add "lastrst=8000000," to your &cntrl namelist; the number I
> chose is four times the default value, and this may or may not be large
> enough. Unfortunately, you just have to use trial and error to figure out
> what value is sufficiently large.
>
> ..good luck...dac
>
> --
>
> ==================================================================
> David A. Case | e-mail: case.scripps.edu
> Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
> The Scripps Research Institute | phone: +1-858-784-9768
> 10550 N. Torrey Pines Rd. | home page:
> La Jolla CA 92037 USA | http://www.scripps.edu/case
> ==================================================================
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Received on Thu Jan 15 2004 - 07:53:01 PST
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