AMBER Archive (2003)

Subject: AMBER: RMSd per residue

From: volodya (volodya_at_imb-jena.de)
Date: Tue Oct 07 2003 - 07:58:20 CDT

Dear AMBER users,

Can you give me good example of carnal input file for RMSd measurement
for every residues?

I try to work with:

FILES_IN
   PARM p1 1tubg.top;
   PARM p2 1tubg_min3.top;
   STATIC st1 1tubg.crd;
   STREAM s2 p2 mdpme2_g.mdcrd mdpme3_g.mdcrd mdpme4_g.mdcrd mdpme5_g.mdcrd;
FILES_OUT
   TABLE tab1 mdpme_per_res_2_3_4_5_1tubg_g_rms;
DECLARE
   GROUP gALL (RES 1 - 440);
   RMS r1 FIT gALL s2 st1 RES;
OUTPUT
   TABLE tab1 r1;
END

But carnal says me to delete RES and put ";" What should I do?

volodya 

-- 
Volodymyr Nechiporuk-Zloy
Institute of Molecular Biotechnology <http://www.imb-jena.de>
Dept. Single Cell and Single Molecule Techniques
<http://www.imb-jena.de/www_kog/>
Beutenbergstrasse 11
D - 07745 Jena
Germany
Phone: *49 3641 656169
Fax:      *49 3641 656166

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