AMBER Archive (2003)

Subject: Re: Increase lastist in the &cntrl namelist

From: GUILLERMINA L ESTIU (gle10_at_psu.edu)
Date: Tue May 13 2003 - 13:37:24 CDT

I,ve found it, thanks anyway...

On Tue, 13 May 2003 14:16:09, "GUILLERMINA L ESTIU" wrote:

>
> Hi,
> I am trying to run sander (minimization) (amber7) for a sistem of 50000
> residues (180000 atoms)
> In the first run I am minimizing only the solvent water molecules.
>
> The minimization stops with a message "Exceeding lastist in get_istack"
> The message belongs to istak.f subruitine. But it is not clear to me, if I
have
> fo Increase MAX_ISTACK in sizes.h and recompile, or there is a variable
> "lastist" which I can handle from the input.
>
> Thanks
> Guille
> Dr Guillermina Estiu
> Chemistry Department
> Pennsylvania State University
> PA 16802
>
>
>

Dr Guillermina Estiu
Chemistry Department
Pennsylvania State University
PA 16802