X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD%2Finitialize_p.F;h=0cf093ae98fb897f582ce3d6495bce95a158026a;hb=68aa1d135805a14583695611acfcf637748b4466;hp=a2281e5a39dc143861f25e81a856f465af3c8b70;hpb=57038e4bdff4cc9534106b25bfbd4b9a844d47fd;p=unres.git diff --git a/source/wham/src-HCD/initialize_p.F b/source/wham/src-HCD/initialize_p.F index a2281e5..0cf093a 100644 --- a/source/wham/src-HCD/initialize_p.F +++ b/source/wham/src-HCD/initialize_p.F @@ -22,6 +22,7 @@ C include "COMMON.NAMES" include "COMMON.TIME1" include "COMMON.TORCNSTR" + include "COMMON.SETUP" C C The following is just to define auxiliary variables used in angle conversion C @@ -237,6 +238,7 @@ C Set timers and counters for the respective routines n_viol = 0 n_gviol = 0 n_map = 0 + nfgtasks = 1 #ifndef SPLITELE nprint_ene=nprint_ene-1 #endif @@ -304,7 +306,7 @@ c------------------------------------------------------------------------- ! 15 16 17 18 19 20 21 & "WHPB ","WVDWPP","WSCP14","WBOND","WSCCOR","WDIHC","WSC", ! 22 23 24 25 26 27 28 - & "WLIPTRAN","WAFM","WTHETC","WSHIELD","WSAXS","WHOMO","WDFAD", + & "WLT ","WAFM","WTHETC","WSHIELD","WSAXS","WHOMO","WDFAD", ! 29 30 31 & "WDFAT","WDFAN","WDFAB"/ data ww0 /