X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fintcor.f;h=04edbfdac8556132f4b1dc951a8154ab280e42dd;hb=58b37a8c9dff4d0d448f99de2ea09225f105faa0;hp=a3cd5d0bbbb65be53f175a1ef35f311524a4a959;hpb=ce029d82f9541e9434d7b016ad442b20526de7a2;p=unres.git

diff --git a/source/unres/src_MD-M/intcor.f b/source/unres/src_MD-M/intcor.f
index a3cd5d0..04edbfd 100644
--- a/source/unres/src_MD-M/intcor.f
+++ b/source/unres/src_MD-M/intcor.f
@@ -32,6 +32,7 @@ c
       include 'DIMENSIONS'
       include 'COMMON.GEO'
       include 'COMMON.CHAIN'
+      include 'COMMON.IOUNITS'
       x12=c(1,i1)-c(1,i2)
       x23=c(1,i3)-c(1,i2)
       x34=c(1,i4)-c(1,i3)
@@ -57,8 +58,6 @@ cd    print '(2i3,3f10.5)',i3,i4,x34,y34,z34
       if (dabs(scalar).gt.1.0D0) 
      &scalar=0.99999999999999D0*scalar/dabs(scalar)
       angle=dacos(scalar)
-cd    print '(2i4,10f7.3)',i2,i3,vx,vy,vz,wx,wy,wz,vnorm,wnorm,
-cd   &scalar,angle
       else
       angle=pi
       endif 
@@ -69,6 +68,10 @@ c     if (angle.le.0.0D0) angle=pi+angle
       scalar=tx*x23+ty*y23+tz*z23
       if (scalar.lt.0.0D0) angle=-angle
       beta=angle
+cd      if ((vnorm.lt.0.01.or.wnorm.lt.0.01).and.angle.ne.pi
+cd     & .and.i3.ne.maxres*2)
+cd     & write(iout,'(a12,4i4,6f7.3,4f10.5)') 'beta warning',i1,i2,i3,i4,
+cd     & vx,vy,vz,wx,wy,wz,vnorm,wnorm,scalar,angle*RAD2DEG
       return
       end
 C