X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fgeomout.F;fp=source%2Funres%2Fsrc_MD-M%2Fgeomout.F;h=eed41a275244e8524238feb052223d705bd39387;hb=7308760ff07636ef6b1ee28d8c3a67a23c14b34b;hp=0b711bd03c00c1a402f2db23fb58f9c71bd54a18;hpb=9a54ab407f6d0d9d564d52763b3e2136450b9ffc;p=unres.git diff --git a/source/unres/src_MD-M/geomout.F b/source/unres/src_MD-M/geomout.F index 0b711bd..eed41a2 100644 --- a/source/unres/src_MD-M/geomout.F +++ b/source/unres/src_MD-M/geomout.F @@ -425,6 +425,7 @@ c----------------------------------------------------------------- include 'COMMON.SBRIDGE' include 'COMMON.DISTFIT' include 'COMMON.MD' + include 'COMMON.REMD' include 'COMMON.SETUP' integer itime double precision energia(0:n_ene) @@ -509,6 +510,12 @@ C print *,'A CHUJ',potEcomp(23) line2=' ' endif if (print_compon) then + if(itime.eq.0) then + write(format,'(a1,a4,a1,a4,a10)') "(",format1,",",format2, + & ",20a12)" + write (istat,format) "#","", + & (ename(print_order(i)),i=1,nprint_ene) + endif write(format,'(a1,a4,a1,a4,a10)') "(",format1,",",format2, & ",20f12.3)" write (istat,format) line1,line2,