X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fenecalc1.F;h=0e3da33391947bd9a54675ea0f01b920671486fb;hb=22ea58d3be4c7c625b9c5fb0e9f6d1b2bf7428f6;hp=a5d25b348fef5f3c20431532c7ab809259900c55;hpb=25618f9f83673a7063414fe1e17415d138f58da8;p=unres.git

diff --git a/source/wham/src-M/enecalc1.F b/source/wham/src-M/enecalc1.F
index a5d25b3..0e3da33 100644
--- a/source/wham/src-M/enecalc1.F
+++ b/source/wham/src-M/enecalc1.F
@@ -228,7 +228,7 @@ c              call intout
           endif
 C          write (iout,*) "Czy tu dochodze"
           potE(iii+1,iparm)=energia(0)
-          do k=1,22
+          do k=1,max_ene
             enetb(k,iii+1,iparm)=energia(k)
           enddo
 #ifdef DEBUG
@@ -744,7 +744,7 @@ c------------------------------------------------------------------------------
       call int_from_cart1(.false.)
       do j=nnt+1,nct
         if (itype(j-1).ne.ntyp1 .and. itype(j).ne.ntyp1 .and. 
-     &    (vbld(j).lt.2.0d0 .or. vbld(j).gt.5.0d0)) then
+     &    (vbld(j).lt.2.0d0 .or. vbld(j).gt.6.0d0)) then
           if (iprint.gt.0) 
      &    write (iout,*) "Bad CA-CA bond length",j," ",vbld(j),
      &      " for conformation",ii
@@ -769,7 +769,7 @@ c------------------------------------------------------------------------------
       do j=nnt,nct
         itj=itype(j)
         if (itype(j).ne.10 .and.itype(j).ne.ntyp1 .and. 
-     &     (vbld(nres+j)-dsc(iabs(itj))).gt.2.0d0) then
+     &     (vbld(nres+j)-dsc(iabs(itj))).gt.5.0d0) then
           if (iprint.gt.0) 
      &    write (iout,*) "Bad CA-SC bond length",j," ",vbld(nres+j),
      &     " for conformation",ii