X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Funres.F;h=c0e49ce92d60c5ccb49fa4ff276ec09ff73f952d;hb=66980167b703e10af937168c72d113e607e4323d;hp=6d9de55b6636587d28e0c64b63f12035eaeb90fd;hpb=640bb912c3b2b3ca0742fa4d15735e0eea2e7744;p=unres.git

diff --git a/source/unres/src_MD/unres.F b/source/unres/src_MD/unres.F
index 6d9de55..c0e49ce 100644
--- a/source/unres/src_MD/unres.F
+++ b/source/unres/src_MD/unres.F
@@ -189,6 +189,7 @@ c---------------------------------------------------------------------------
       double precision energy(0:n_ene)
       double precision energy_long(0:n_ene),energy_short(0:n_ene)
       double precision varia(maxvar)
+      integer nharp,iharp(4,maxres/3)
       if (indpdb.eq.0) call chainbuild
 #ifdef MPI
       time00=MPI_Wtime()
@@ -287,6 +288,7 @@ crc overlap test
 #endif
       if (outpdb) call pdbout(etot,titel(:32),ipdb)
       if (outmol2) call mol2out(etot,titel(:32))
+      if (minim .and. iretcode.ne.4) call check_ecartint
       return
       end
 c---------------------------------------------------------------------------