X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fwham%2Fsrc-HCD-5D%2Fenecalc1.F;h=0040e378f9720d12f5a47df800fcb8e1de9470d2;hb=2bc0c5f06a45a86998d13adb237a1c84e46e12e8;hp=f037ae8a19920e5a3dd3d6559c9c6047d909fb21;hpb=57fd9101200e85f97d56c97be8c418396b08e05a;p=unres.git

diff --git a/source/wham/src-HCD-5D/enecalc1.F b/source/wham/src-HCD-5D/enecalc1.F
index f037ae8..0040e37 100644
--- a/source/wham/src-HCD-5D/enecalc1.F
+++ b/source/wham/src-HCD-5D/enecalc1.F
@@ -213,8 +213,8 @@ c        call pdbout(ii+1,beta_h(ib,ipar),efree,energia(0),0.0d0,rmsdev)
           write (iout,'(8f10.5)') ((c(l,k),l=1,3),k=1,nres),
      &                            ((c(l,k+nres),l=1,3),k=nnt,nct)
 c              call intout
-              call pdbout(indstart(me1)+iii,
-     & 1.0d0/(1.987D-3*beta_h(ib,ipar)),energia(0),eini,0.0d0,0.0d0)
+c              call pdbout(indstart(me1)+iii,
+c     & 1.0d0/(1.987D-3*beta_h(ib,ipar)),energia(0),eini,0.0d0,0.0d0)
               call enerprint(energia(0),fT)
               errmsg_count=errmsg_count+1
               if (errmsg_count.gt.maxerrmsg_count)