AMBER Archive (2006)

Subject: Re: AMBER: Problems with a restrained minimization approach

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On Fri, Sep 15, 2006, Abhilash wrote:

>
> -------------------------------------------------------
> Amber 8 SANDER Scripps/UCSF 2004
> -------------------------------------------------------
>
> | Run on 09/15/2006 at 14:10:45
> [-O]verwriting output
>
> File Assignments:
> | MDIN: complex_firstmin.mdin
> | MDOUT: complex_firstmin_test.mdout
> |INPCRD: complex.crd
> | PARM: complex.top
> |RESTRT: complex_firstmin_test.rst
> | REFC: complex.top
           ^^^^^^^^^^^^

You are trying to use a topology file as the coordinates, which won't work.
This should probably be something like "complex.crd", not "complex.top".

(Not sure why the program just stopped, however...)

...dac

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