Hi there,
Try editing the anneal.inp script to include the following (or a
derivative thereof) -
{* maximum unbranched chain length *}
{* increase for long stretches of polyalanine *}
{===>} torsion_maxlength=50;
{* maximum number of distinct bodies *}
{===>} torsion_maxtree=10;
{* maximum number of chains (increase for large molecules)
{===>} torsion_maxchain=1000;
{* maximum number of bonds to an atom *}
{===>} torsion_maxbond=6;
*******************************************************************************
Paul Hubbard
Department of Biochemistry
Medical College of Wisconsin
8701 Watertown Plank Rd.
Milwaukee
Wisconsin. 53226
Tel: 414-456-4305
Fax: 414-456-6510
WWW: http://141.106.40.30
*******************************************************************************
On Wed, 28 Jul 1999, Balaji Bhyravbhatla wrote:
> Date: Wed, 28 Jul 1999 12:55:53 -0400
> From: Balaji Bhyravbhatla <balaji at val.sb.fsu.edu>
> To: x-plor at net.bio.net> Subject: MAXTREE error
>> Dear CNS users,
> I have an error when I run the anneal.inp file
> Here is the log file:
>> Torsion Topology>
> Torsion Topology> end
> Torsion Dynamics> nstep=0
> Torsion Dynamics> cmremove=true
> Torsion Dynamics> end
> -------------------------- Torsion Topology
> -----------------------------------
> WARNING: There are too many trees.
> Please increase MAXTREE and re-run.
>> %TORSION:TOPOLOGY error encountered: Fatal Topology Error
> (CNS is in mode: SET ABORT=NORMal END)
> *****************************************************
> ABORT mode will terminate program execution.
> *****************************************************
> Program will stop immediately.
> ============================================================
> Maximum dynamic memory allocation: 5434796 bytes
> Maximum dynamic memory overhead: 992 bytes
> Program started at: 12:30:22 on 28-Jul-99
> Program stopped at: 12:37:43 on 28-Jul-99
> CPU time used: 416.8403 seconds
> ============================================================
>>>> thanks.
>> Balaji
> --
> Dr. Balaji Bhyravbhatla
> Institute of Molecular Biophysics, FSU
> Room 412 -- (850) 644 6547
>balaji at sb.fsu.edu OR bbhyravbhatla at hotmail.com>
