X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Finitialize_p.F;h=ea446f71f86f8febc4386c4b083ac0e1b96f8136;hb=300ba71bc245fd18664d59de0972b36fa1bb50b7;hp=d02ebd162fbadc8e3863f62261f0b1e3447f7a2f;hpb=fd605cbdfa3f7064befd092ee0778cfcb7f0cfed;p=unres.git diff --git a/source/unres/src_MD/initialize_p.F b/source/unres/src_MD/initialize_p.F index d02ebd1..ea446f7 100644 --- a/source/unres/src_MD/initialize_p.F +++ b/source/unres/src_MD/initialize_p.F @@ -37,8 +37,9 @@ cMS$ATTRIBUTES C :: proc_proc include 'COMMON.MINIM' include 'COMMON.DERIV' include 'COMMON.SPLITELE' + include 'COMMON.MD' c Common blocks from the diagonalization routines - COMMON /IOFILE/ IR,IW,IP,IJK,IPK,IDAF,NAV,IODA(400) + COMMON /IOFILE/ IR,IW,IPP,IJK,IPK,IDAF,NAV,IODA(400) COMMON /MACHSW/ KDIAG,ICORFL,IXDR logical mask_r c real*8 text1 /'initial_i'/ @@ -245,6 +246,7 @@ C #ifndef SPLITELE nprint_ene=nprint_ene-1 #endif + usampl=.true. return end c-------------------------------------------------------------------------