Re: AMBER: &shf setup

From: David A. Case <>
Date: Fri, 16 Nov 2007 15:59:19 -0800

On Thu, Nov 15, 2007, McElheny, Dan wrote:
> i'm trying to include proton chemical shift restraints in my md
> refinement. looks like the script 'makeSHF_RST' has troubles with linux
> and always gives the error "unexpected token `('" which might have to do
> with awk in linux.

I'll have to look at this...makeSHF_RST is 10 years old, and has essentially
been replaced with the -sander option in the SHIFTS program (see web site
below for links). So it could well be that something is not working correctly's probably time to just retire makeSHF_RST.


David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  skype:                 dacase
La Jolla CA 92037  USA            |
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Nov 18 2007 - 06:07:54 PST
Custom Search