AMBER: RMSd per residue

From: volodya <volodya.imb-jena.de>
Date: Tue, 07 Oct 2003 14:58:20 +0200

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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu

Received on Thu Nov 06 2003 - 14:53:01 PST