X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Funres.F;fp=source%2Funres%2Fsrc_MD%2Funres.F;h=b8dd5ec07713d9856c96e1786aae910ab849b8c5;hp=a63047f007d37467e798bc61b7e2eb20d682784e;hb=9453fc761eb545fcb727824c94d012dbf3931951;hpb=6f521277aa2a382d409f5189957283b0998b0d07

diff --git a/source/unres/src_MD/unres.F b/source/unres/src_MD/unres.F
index a63047f..b8dd5ec 100644
--- a/source/unres/src_MD/unres.F
+++ b/source/unres/src_MD/unres.F
@@ -248,6 +248,7 @@ crc overlap test
           time1=tcpu()
 #endif
           call minim_dc(etot,iretcode,nfun)
+          if(iretcode.eq.8) call check_ecartint
         else
           if (indpdb.ne.0) then 
             call bond_regular
@@ -697,7 +698,7 @@ c---------------------------------------------------------------------------
       include 'COMMON.MD'
       include 'COMMON.SBRIDGE'
       common /srutu/ icall
-      double precision energy(0:max_ene)
+      double precision energy(0:n_ene)
 c      do i=2,nres
 c        vbld(i)=vbld(i)+ran_number(-0.1d0,0.1d0)
 c        if (itype(i).ne.10) 
@@ -774,7 +775,7 @@ c---------------------------------------------------------------------------
       include 'DIMENSIONS'
       include 'COMMON.IOUNITS'
       include 'COMMON.CONTROL'
-      double precision energy(0:max_ene)
+      double precision energy(0:n_ene)
       logical debug /.false./
       call chainbuild
       call etotal(energy(0))