AMBER: xplor2amber

From: Mahadevan Seetharaman <maha.vwl.msi.umn.edu>
Date: Sat, 2 Aug 2003 21:34:24 -0500 (CDT)

Hi,

Does anyone have a script to convert xplor format NMR restraints into
amber acceptable input?

I used xplor2amber in midas and the format of my restraint output is

restraint/ at1=XXX /at2=XXX \
/r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=20 /k3=20 \
/grpat1=1:H1 \
/grpat2=2:H1

I am not sure how to make amber read this or to make xplor2amber write
atom numbers at1 and at2.

Thanx in advance,
Mahadevan

-------------------------------------------------------------------------------
Mahadevan Seetharaman
Dept. of Chemistry, Univ. of Minnesota
207, Pleasant St. SE Minneapolis, MN 55455
Ph: (612)-624-1535 (O), (216)-382-9769 (H)
-------------------------------------------------------------------------------





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Received on Sun Aug 03 2003 - 03:53:01 PDT
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