& "ECORR6 ","EELLO ","ETURN3 ","ETURN4 ","ETURN6 ",
& "EBE bend","ESC SCloc","ETORS ","ETORSD ","EHPB","EVDWPP",
& "EVDW2_14","ESTR","ESCCOR","EDIHC","EVDW_T","ELIPTRAN",
- & "EAFM","ETHETC","EMPTY"/
+ & "EAFM","ETHETC","ESHIELD","ESAXS"/
data wname /
& "WSC","WSCP","WELEC","WCORR","WCORR5","WCORR6","WEL_LOC",
& "WTURN3","WTURN4","WTURN6","WANG","WSCLOC","WTOR","WTORD",
& "WHPB","WVDWPP","WSCP14","WBOND","WSCCOR","WDIHC","WSC",
- & "WLIPTRAN","WAFM","WTHETC","WSHIELD"/
+ & "WLIPTRAN","WAFM","WTHETC","WSHIELD","WSAXS"/
data ww0 /1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,
& 1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,0.4d0,1.0d0,1.0d0,
- & 0.0d0,0.0,0.0d0,0.0d0,0.0d0,0.0d0/
+ & 0.0d0,0.0,0.0d0,0.0d0,0.0d0,0.0d0,0.0d0/
data nprint_ene /22/
data print_order /1,2,3,18,11,12,13,14,4,5,6,7,8,9,10,19,
- & 16,15,17,20,21,24,22,23,1/
+ & 16,15,17,20,21,24,22,23,26/
end
c---------------------------------------------------------------------------
subroutine init_int_table
implicit real*8 (a-h,o-z)
include 'DIMENSIONS'
include 'DIMENSIONS.ZSCOPT'
+ include 'DIMENSIONS.FREE'
#ifdef MPI
include 'mpif.h'
#endif
#ifdef MP
include 'COMMON.INFO'
#endif
+ include 'COMMON.CONTROL'
include 'COMMON.CHAIN'
include 'COMMON.INTERACT'
include 'COMMON.LOCAL'
call int_bounds(nres-3,itau_start,itau_end)
itau_start=itau_start+3
itau_end=itau_end+3
+ call int_bounds(nsaxs,isaxs_start,isaxs_end)
if (lprint) then
write (iout,*) 'Processor:',MyID,
& ' loc_start',loc_start,' loc_end',loc_end,
iphi_end=nct
itau_start=4
itau_end=nres
+ isaxs_start=1
+ isaxs_end=nsaxs
#endif
return
end