AMBER: &shf setup

From: McElheny, Dan <>
Date: Thu, 15 Nov 2007 17:39:42 -0600 (CST)


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.

anway, does anyone have a conversion script that has been tested on linux?
also, an example of how the restraint looks would be very useful as well.

thanks in advance.

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Received on Sun Nov 18 2007 - 06:07:36 PST
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