AMBER Archive (2005)

Subject: Re: AMBER: restart file

From: Carlos Simmerling (carlos.simmerling_at_stonybrook.edu)
Date: Tue Jul 05 2005 - 14:36:43 CDT

use a text editor to check your restart file and find out what is wrong.
this will go a long way in helping to identify the problem.

Harianto Tjong wrote:

> Dear helper,
> I run several high temperature simulations (500-600K) with constant
> volume in Amber7, when they reach about 8-9 ns the simulations stop
> and messages like the following appear:
> * fmt: read unexpected character
> apparent state: unit 9 named t11.rst
> last format: (6F12.7)
> lately reading sequential formatted external IO
> Abort (core dumped)
> *
> then I tried to run it again using t10.rst, for instant, as the
> restart file (and sometimes I changed the interval time of the results
> printed in one file). When it comes to use the next restart file, say
> it t11.rst, the same message appear.
> Can someone help me to solve this problem?
> Any help would be appreciated.
>
> Best wishes,
> Harianto.
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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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