Hi. I am currently using makeDIST_RST to prepare a restraint file for some
NMR refinement. During this procedure, i run into an error:
ERROR no map function for HH TYR :data= 27 LEU QD1 134 TYR HH 1.80
5.50
I found that the map files, /amber/dat/map.DG-AMBER and
/amber/dat/map.Brook-AMBER, have the following 'HH' assignments for TYR
residues:
MAPPING OH = HH
MAPPING HOH = HH
Is this a typo in the first line? I'm thinking that the assignments should
read:
MAPPING HH = HH
MAPPING HOH = HH
I've made the change in my personal files, but if this is an error in the
file, maybe it should be changed for future releases?
-ryan
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Received on Fri Dec 05 2008 - 18:23:53 PST
