On Tue, Jan 07, 2003, Dvira Segal wrote:
>
> min.in
> ------
> min (no shake, periodic) - just enough to relax for md
> &cntrl
> imin = 1, maxcyc = 500, nrun = 0, nsnb = 25,
> ntc = 1, ntf = 1, idiel = 1,
> scee = 2.0,
> &end
>
>
>
> I got the error message:
> -----------
> namelist read: variable not in namelist
What version of sander are you using? nrun and idiel are no longer legal
variables in sander 7 (not sure about sander 6).
When you get the "variable not in namelist" message, you just need to look
at your input variables, and match them up against the documentation, or
the list of variables in the "namelist /cntrl/" statement in mdread.f.
..good luck...dac
--
==================================================================
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:
La Jolla CA 92037 USA | http://www.scripps.edu/case
==================================================================
Received on Tue Jan 07 2003 - 08:16:48 PST
