AMBER Archive (2003)

Subject: Re: AMBER: gibbs pmf calculation

From: David A. Case (case_at_scripps.edu)
Date: Mon Aug 25 2003 - 10:25:27 CDT

On Mon, Aug 25, 2003, Lishan Yao wrote:

> Thanks for your response. I looked at the manual again and I found
> out that I need (7(I5,1X),2F10.5) format for the first line, and
> (4F10.5,2I5) for the second. This is the new input I use:
>
> > >
> > > fmt: read unexpected character
> > > apparent state: unit 5 named gibbs.in
> > > last format: (F10.0,10I5)

The format that is failing is the one listed above, not the ones you changed.
So, you need to find out what line is expecting a format (F10.0,10I5).

A quick "grep" on the sources of gibbs shows that this format is in mdread.f,
and the program thinks you have formatted input, not namelist input -- it
looks like the the program may not be finding your "cntrl" namelist.

..dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
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