X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD_DFA%2Finitialize_p.F;h=7a543c461b15fcbd6077edb1e335efa219df0cc9;hb=1c58b22506d591bb7d05ee50a8c36a0d1bbc831d;hp=7db117dffc2a2839a175465ae8c4310d2163f895;hpb=6aad70a8f8898ab4603f7122fa7bb86ae8eec7cb;p=unres.git diff --git a/source/unres/src_MD_DFA/initialize_p.F b/source/unres/src_MD_DFA/initialize_p.F index 7db117d..7a543c4 100644 --- a/source/unres/src_MD_DFA/initialize_p.F +++ b/source/unres/src_MD_DFA/initialize_p.F @@ -264,15 +264,16 @@ 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 ","EVDW2_14 ","UCONST ", " ","ESCCOR"," "," "/ + & "ESTR ","EVDW2_14 ","UCONST ", " ","ESCCOR"," "," ", + & "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", - & " "," "/ - data nprint_ene /20/ + & " "," ","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, - & 21,0,0,0/ + & 21,24,25,26,27,0,0,0/ end c--------------------------------------------------------------------------- subroutine init_int_table