Re: [AMBER] error in reading namelist cntrl

From: case <>
Date: Mon, 5 Apr 2010 08:53:16 -0400

On Mon, Apr 05, 2010, Hyma vathi wrote:

> I am trying to perform thermodynamic integration using soft core potentials.
> But I am faced with the following error. Can anyone please help. Thank you

Are you running sander.MPI? Only the parallel version has variables like
"scmask" in the namelist.

If this is not the problem, you should modify the input file until you find
the variable that is not recognized. Unfortunately, many Fortran compilers
provide little help in debugging bad namelist input.


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Received on Mon Apr 05 2010 - 06:00:07 PDT
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