AMBER: working with unformatted restart files in AMBER9

From: Vlad Cojocaru <Vlad.Cojocaru.eml-r.villa-bosch.de>
Date: Tue, 01 Apr 2008 15:35:57 +0200

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
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e-mail:Vlad.Cojocaru[at]eml-r.villa-bosch.de
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Received on Fri Apr 18 2008 - 21:15:52 PDT
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