X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Funres.F;h=722a3aa85d6fd006226249b70c6df70df4003622;hb=b4831659636408af9cba358145dfbda4d738e581;hp=b14c040d5ac0ea8683557bb3ce4ed283829a7d73;hpb=844f1db311d0fb2a5851d103d8bc7e1576dab37a;p=unres.git

diff --git a/source/unres/src_MD/unres.F b/source/unres/src_MD/unres.F
index b14c040..722a3aa 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
@@ -736,6 +737,7 @@ c      enddo
       print *,'icheckgrad=',icheckgrad
       goto (10,20,30) icheckgrad
   10  call check_ecartint
+      call check_ecartint
       return
   20  call check_cartgrad
       return