X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fcheckder_p.F;h=08b7a3233ebd6adb8096eeace50229b4b33dc726;hp=6f9ca705073bec2c609fd93cfef58de8f6c19ac0;hb=050ed1574772b7d2bdee4225feda68c312beca75;hpb=272adb4603e8f27ca6f69069921e2d72f4ad3cb3

diff --git a/source/unres/src_MD/checkder_p.F b/source/unres/src_MD/checkder_p.F
index 6f9ca70..08b7a32 100644
--- a/source/unres/src_MD/checkder_p.F
+++ b/source/unres/src_MD/checkder_p.F
@@ -284,7 +284,7 @@ C Check the gradient of the energy in Cartesian coordinates.
 c      call intcartderiv
 c      call checkintcartgrad
       call zerograd
-      aincr=1.0D-5
+      aincr=1.0D-6
       write(iout,*) 'Calling CHECK_ECARTINT.'
       nf=0
       icall=0
@@ -534,6 +534,7 @@ c-------------------------------------------------------------------------
          tauangle(1,i+1)=beta(i-1+nres,i-1,i,i+1)
          omicron(1,i)=alpha(i-2,i-1,i-1+nres)
          omicron(2,i)=alpha(i-1+nres,i-1,i)
+C        print *,i,omicron(1,i),omicron(2,i)
         endif
         if (itype(i).ne.10) then
          tauangle(2,i+1)=beta(i-2,i-1,i,i+nres)