X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Finitialize_p.F;h=0ba3b773eab5fb2672fc90106ad1a2e896d1276d;hb=3a334283df7e6ba60b11f1475278af4cee5bedbc;hp=6562302865bf2dc74e04aa7668bb8b673652df63;hpb=357148eb01c1ea7e5cfd362d34f1e1ab61c8f2a8;p=unres.git diff --git a/source/wham/src/initialize_p.F b/source/wham/src/initialize_p.F index 6562302..0ba3b77 100644 --- a/source/wham/src/initialize_p.F +++ b/source/wham/src/initialize_p.F @@ -56,6 +56,7 @@ C ientout=19 ibond=28 isccor=29 + ientin=38 C C WHAM files C @@ -233,12 +234,12 @@ c------------------------------------------------------------------------- & "ECORR6 ","EELLO ","ETURN3 ","ETURN4 ","ETURN6 ", & "EBE bend","ESC SCloc","ETORS ","ETORSD ","EHPB ","EVDWPP ", & "ESTR ","EVDW2_14 ","ESCCOR ", " ","EDIHCNSTR","EHOMOLOGY", - & "DFA DIS","DFA TOR","DFA NEI","DFA BET"/ + & "DFA DIS","DFA TOR","DFA NEI","DFA BET"," "/ data wname / & "WSC","WSCP","WELEC","WCORR","WCORR5","WCORR6","WEL_LOC", & "WTURN3","WTURN4","WTURN6","WANG","WSCLOC","WTOR","WTORD", & "WSTRAIN","WVDWPP","WBOND","SCAL14","WSCCOR"," ","WDIHCNSTR", - & "WHOMOLOGY","WDFAD","WDFAT","WDFAN","WDFAB"/ + & "WHOMOLOGY","WDFAD","WDFAT","WDFAN","WDFAB"," "/ data nprint_ene /24/ data print_order/1,2,3,11,12,13,14,4,5,6,7,8,9,10,19,18,15,17,16, & 21,23,24,25,26,0,0,0/