Author: Dave Case, found by Junmei Wang
Date: 04/09/03

Programs: antechamber

Description: the program fails to assign correct atom types for nitriles 
             (and some similar functional groups)
             when LAPACK is set.

Fix:  apply the following patch to amber7/dat/antehcamber/ATOMTYPE_GFF.DEF
-------------------------------------------------------------------------------

*** ATOMTYPE_GFF.DEF	2002/02/20 17:56:25	1.3
--- ATOMTYPE_GFF.DEF	2003/04/09 22:50:51
***************
*** 82,87 ****
--- 82,88 ----
  ATD  nd  -  *  7  2  *  *  *  *   N2  P2  &
  ATD  nd  -  *  7  2  *  *  *  *   P2  P2  &
  ATD  n2  -  *  7  2  &
+ ATD  n1  -  *  7  1  &
  //1  2   3  4  5  6  7  8  9  10  11  12  13  14  15  16  17
  ATD  o   -  *  8  1  & 
  ATD  oh  -  *  8  2  *  *  1  &

-------------------------------------------------------------------------------

Temporary workarounds: none