On Wed, Mar 21, 2001, Sanjeev B.S. wrote:
> 1525-088 The NAMELIST READ statement cannot be completed because item init
> is not a member of the NAMELIST group cntrl.
Seems to me that this is a pretty clear error message. You have a variable
named "init" in your namelist input, but that is not a legal input
variable in sander, version 6.
> &cntrl
> irest=0, ntx=1, init=3, t=0.0, nstlim=500,
^^^^^^
> nrun=4,
^^^^^^ <- note also that "nrun" is also not a legal input variable.
Version 6 has a number of such differences compared to version 5.
...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
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Received on Thu Mar 22 2001 - 07:43:37 PST
