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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Received on Wed Oct 25 2006 - 06:07:21 PDT
