AMBER Archive (2008)

Subject: AMBER: makeDIST_RST error -- no map function for HH TYR

From: Ryan Pavlovicz (pavlovicz.7_at_osu.edu)
Date: Mon Dec 01 2008 - 13:30:01 CST

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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu