AMBER Archive (2006)

Subject: AMBER: DIST_RST

From: Urszula Uciechowska (urszula.uciechowska_at_pharmazie.uni-halle.de)
Date: Tue Oct 24 2006 - 03:32:03 CDT

Hello Amber users,

I am trying to set distance restraints between some protein sidechains and a structural Zn ion.
I made a updb file and i tried to use make DIST_RST and i got such a error messages.

makeDIST_RST -upb str.upb -pdb prot.pdb -rst
 prot.rst
 # makeDIST_RST
 Currently configured for up to 5000 atoms
 Using MAP file /usr/local/amber/dat/map.DG-AMBER
 ERROR no map function for S CYS :data= 221 CYS S 2001 Zn Zn 2.13

I saw that some people recommended to use the "raw" sander foramt. Could any one give me some
examples how should I use it. I am beginner in AMber9.

Any help would be greatly appreciated.

Urszula Uciechowska
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