On Fri, May 16, 2003, Wayne Dawson wrote:
>
>
> dawson% sander -O -i md1z.in -o proteinBox.out -p proteinBox.crd -ref RST
The file referred to by the "-ref" flag is for "reference" coordinates related
to the ntr=1 or ibelly=1 input variables (neither of which you seem to be
using.)
Use the DISANG line in sander to tell it where the NMR restraints are.
> 1525-090 The NAMELIST READ statement cannot be completed because an
> incorrect character was encountered in a NAMELIST group name or item name.
> The program will recover by discontinuing further processing of the READ
> statement.
You need to replace the "&end" statements with "/" on IBM AIX systems. See
if that helps.
--
==================================================================
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 Fri May 16 2003 - 21:53:01 PDT
