X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Frefsys.f;h=4b7b76379c0d869f6cdb200e01cba831d8ef9e78;hb=e910def1e1c1c0f0b35e8ce1cbf2a9ee59628771;hp=35a881e3576d56774afc7159f81ac80d7770a236;hpb=d101c97dea752458d76055fdbae49c26fff03c1f;p=unres.git diff --git a/source/unres/src_MD-M/refsys.f b/source/unres/src_MD-M/refsys.f index 35a881e..4b7b763 100644 --- a/source/unres/src_MD-M/refsys.f +++ b/source/unres/src_MD-M/refsys.f @@ -3,6 +3,8 @@ c This subroutine calculates unit vectors of a local reference system 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 @@ -13,7 +15,6 @@ c form a linear fragment. returns vectors e1, e2, and e3. 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.