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