#endif
include 'COMMON.IOUNITS'
include 'COMMON.TIME1'
-c include 'COMMON.THREAD'
include 'COMMON.SBRIDGE'
include 'COMMON.CONTROL'
include 'COMMON.MCM'
-c include 'COMMON.MAP'
include 'COMMON.HEADER'
-c include 'COMMON.CSA'
include 'COMMON.CHAIN'
-c include 'COMMON.MUCA'
-c include 'COMMON.MD'
include 'COMMON.FFIELD'
include 'COMMON.SETUP'
COMMON /MACHSW/ KDIAG,ICORFL,IXDR
call readi(controlcard,'MAXGEN',maxgen,10000)
call readi(controlcard,'MAXOVERLAP',maxoverlap,1000)
call readi(controlcard,"KDIAG",kdiag,0)
- call readi(controlcard,"RESCALE_MODE",rescale_mode,1)
+ call readi(controlcard,"RESCALE_MODE",rescale_mode,0)
if(me.eq.king .or. .not. out1file .and. fg_rank.eq.0)
& write (iout,*) "RESCALE_MODE",rescale_mode
split_ene=index(controlcard,'SPLIT_ENE').gt.0
bad(i,1)=scalscp*bad(i,1)
bad(i,2)=scalscp*bad(i,2)
enddo
- call rescale_weights(t_bath)
+c call rescale_weights(t_bath)
if(me.eq.king.or..not.out1file)
& write (iout,22) wsc,wscp,welec,wvdwpp,wbond,wang,wscloc,wtor,
& wtor_d,wstrain,wel_loc,wcorr,wcorr5,wcorr6,wsccor,wturn3,
endif
C Generate distance constraints, if the PDB structure is to be regularized.
- if (nthread.gt.0) then
- call read_threadbase
- endif
+c if (nthread.gt.0) then
+c call read_threadbase
+c endif
call setup_var
if (me.eq.king .or. .not. out1file)
& call intout
call readi(minimcard,'MINFUN',minfun,maxmin)
call reada(minimcard,'TOLF',tolf,1.0D-2)
call reada(minimcard,'RTOLF',rtolf,1.0D-4)
+ print_min_stat=min0(index(minimcard,'PRINT_MIN_STAT'),1)
+ print_min_res=min0(index(minimcard,'PRINT_MIN_RES'),1)
+ print_min_ini=min0(index(minimcard,'PRINT_MIN_INI'),1)
write (iout,'(/80(1h*)/20x,a/80(1h*))')
& 'Options in energy minimization:'
write (iout,'(4(a,i5),a,1pe14.5,a,1pe14.5)')