AMBER Archive (2003)

Subject: AMBER: xplor2amber

From: Mahadevan Seetharaman (maha_at_vwl.msi.umn.edu)
Date: Sat Aug 02 2003 - 21:34:24 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

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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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