c defined by atoms (i2), (i3), and (i4). The x axis is the axis from
implicit real*8 (a-h,o-z)
include 'DIMENSIONS'
+ include 'COMMON.IOUNITS'
+ include "COMMON.CHAIN"
c this subroutine calculates unity vectors of a local reference system
c defined by atoms (i2), (i3), and (i4). the x axis is the axis from
c atom (i3) to atom (i2), and the xy plane is the plane defined by atoms
logical fail
double precision e1(3),e2(3),e3(3)
double precision u(3),z(3)
- include 'COMMON.IOUNITS'
double precision coinc/1.0D-13/,align /1.0D-13/
c print *,'just initialize'
fail=.false.