AMBER Archive (2008)

Subject: AMBER: working with unformatted restart files in AMBER9

From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Tue Apr 01 2008 - 08:35:57 CDT

Dear Amber users,

I was doing some tests and tried to work with unformatted restart files
in AMBER9. I created an unformatted restart using ntxo=0. However when I
tried to restart a run using this file (ntx=6, irest=1, ntxo=0), I get a
fortran runtime error ("At line 2809 of file _ew_setup.f Fortran runtime
error: Bad value during integer read").

I also tried to read the unformatted file in ptraj but got another
error: readAmberRestart(): sscanf on atoms and time in restart file
1R9O-FLO-M1W_smd02.rst failed

Looking through the list archives I found that some people had seen this
problem quite a while ago (messages from 2005) but no answer was posted.

Does anybody know what's happening here ?

Best wishes
vlad 

-- 
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Dr. Vlad Cojocaru

EML Research gGmbH
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69118 Heidelberg

Tel: ++49-6221-533266
Fax: ++49-6221-533298

e-mail:Vlad.Cojocaru[at]eml-r.villa-bosch.de

http://projects.villa-bosch.de/mcm/people/cojocaru/

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