X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Funres.F;h=0039fcc967fec041653316549732243f4bfe8601;hb=c3a9c13bf805db6b0d6a86766d735eaffb52fb9f;hp=ff1d5720d67651a48eed6bcd15f6478361b369c9;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/unres/src_MD-M/unres.F b/source/unres/src_MD-M/unres.F index ff1d572..0039fcc 100644 --- a/source/unres/src_MD-M/unres.F +++ b/source/unres/src_MD-M/unres.F @@ -188,6 +188,7 @@ c--------------------------------------------------------------------------- common /srutu/ icall double precision energy(0:n_ene) double precision energy_long(0:n_ene),energy_short(0:n_ene) + double precision varia(maxvar) if (indpdb.eq.0) call chainbuild time00=MPI_Wtime() call chainbuild_cart @@ -599,11 +600,11 @@ c Broadcast the order to compute internal coordinates to the slaves. write (istat,'(a5,20a12)')"# ", & (wname(print_order(i)),i=1,nprint_ene) write (istat,'("# ",20(1pe12.4))') - (weights(print_order(i)),i=1,nprint_ene) + & (weights(print_order(i)),i=1,nprint_ene) if (refstr) then write (istat,'(a5,20a12)')"# ", & (ename(print_order(i)),i=1,nprint_ene), - & ,"ETOT total","RMSD","nat.contact","nnt.contact" + & "ETOT total","RMSD","nat.contact","nnt.contact" else write (istat,'(a5,14a12)')"# ", & (ename(print_order(i)),i=1,nprint_ene),"ETOT total"