X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Finitialize_p.F;h=f385f1a2354ac81a680cb527cfb6391694f9655b;hb=29c2a95f7c3afbc83690ae6148c805a3572dc3fd;hp=4ebced616626dc993788ef3de82181aebbbd40bb;hpb=42b30ef61fe3a8077aee8292bd43e4de4e6b8522;p=unres.git diff --git a/source/cluster/wham/src-M/initialize_p.F b/source/cluster/wham/src-M/initialize_p.F index 4ebced6..f385f1a 100644 --- a/source/cluster/wham/src-M/initialize_p.F +++ b/source/cluster/wham/src-M/initialize_p.F @@ -256,14 +256,16 @@ c------------------------------------------------------------------------- & "EVDW SC-SC","EVDW2 SC-p","EES p-p","ECORR4 ","ECORR5 ", & "ECORR6 ","EELLO ","ETURN3 ","ETURN4 ","ETURN6 ", & "EBE bend","ESC SCloc","ETORS ","ETORSD ","EHPB","EVDWPP", - & "ESTR","ESCCOR","EVDW2_14","","EVDW_T"/ + & "EVDW2_14","ESTR","ESCCOR","EDIHC","EVDW_T","ELIPTRAN", + & "EAFM","ETHETC"/ data wname / & "WSC","WSCP","WELEC","WCORR","WCORR5","WCORR6","WEL_LOC", & "WTURN3","WTURN4","WTURN6","WANG","WSCLOC","WTOR","WTORD", - & "WHPB","WVDWPP","WBOND","WSCCOR","WSCP14","","WSC"/ - data nprint_ene /21/ + & "WHPB","WVDWPP","WSCP14","WBOND","WSCCOR","WDIHC","WSC", + & "WLIPTRAN","WAFM","WTHETC"/ + data nprint_ene /22/ data print_order /1,2,3,18,11,12,13,14,4,5,6,7,8,9,10,19, - & 16,15,17,20,21/ + & 16,15,17,20,21,24,22,23/ end c--------------------------------------------------------------------------- subroutine init_int_table