X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fcheckder_p.F;h=135aab75ff03ca959f1d4a55b0dd141a40201126;hp=4ebfd056881eefaf30632b486fdc1efc69395f8a;hb=d101c97dea752458d76055fdbae49c26fff03c1f;hpb=3a74889c3f6514588d40ec326a78f33b3663f5be

diff --git a/source/unres/src_MD-M/checkder_p.F b/source/unres/src_MD-M/checkder_p.F
index 4ebfd05..135aab7 100644
--- a/source/unres/src_MD-M/checkder_p.F
+++ b/source/unres/src_MD-M/checkder_p.F
@@ -272,8 +272,8 @@ C Check the gradient of the energy in Cartesian coordinates.
       integer uiparm(1)
       double precision urparm(1)
       external fdum
-      r_cut=2.0d0
-      rlambd=0.3d0
+c      r_cut=2.0d0
+c      rlambd=0.3d0
       icg=1
       nf=0
       nfl=0                
@@ -397,6 +397,7 @@ c            write (iout,*) "etot11",etot11," etot12",etot12
 c          write(iout,'(2i5,2(a,f15.10))')i,j," etot",etot," etot1",etot1
 	  dc(j,i)=ddc(j)-aincr
           call chainbuild_cart
+C          print *,c(j,i)
 c          call int_from_cart1(.false.)
           if (.not.split_ene) then
             call etotal(energia1(0))