On Mon, Mar 22, 2004, Ahammadunny Pathiaseril wrote:
>
> When KLAMBDA is set in the sander input (AMBER7), the following error
> message was given:
>
> " variable not in the name list"
>
> When the mdread.f file was checked, KLAMBDA was not included in the
> namelist &cntrl. The other two variables ( ICFE and CLAMDA ) needed for
> TI integration are in the list. Does anybody know a work-around? Thank
> you
This is very weird; klambda certainly appears in the namelist in mdread.f
for amber7. Is it possible that you have an altered version of the code?
You might try to see where klambda appears in all of the source code you
have. I don't have any other good suggestions.
.....dac
--
==================================================================
David A. Case | e-mail: case.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
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Received on Thu Mar 25 2004 - 01:53:00 PST
