character*3 seq,res
character*5 atom
character*80 card
- double precision sccor(3,20)
+ double precision sccor(3,50)
integer rescode
integer iterter(maxres)
efree_temp=0.0d0
itype(ires_old-1)=ntyp1
iterter(ires_old-1)=1
itype(ires_old)=ntyp1
+ iterter(ires_old)=1
ishift1=ishift1+1
ibeg=2
! write (iout,*) "Chain ended",ires,ishift,ires_old
else
call sccenter(ires,iii,sccor)
endif
-c iii=0
+ iii=0
endif
! Read free energy
if (index(card,"FREE ENERGY").gt.0) read(card(35:),*) efree_temp
character*3 seq,res
c character*5 atom
character*80 card
- dimension sccor(3,20)
+ dimension sccor(3,50)
integer rescode
logical lside,lprn
if (lprn) then
implicit real*8 (a-h,o-z)
include 'DIMENSIONS'
include 'COMMON.CHAIN'
- dimension sccor(3,20)
+ dimension sccor(3,50)
do j=1,3
sccmj=0.0D0
do i=1,nscat
character*3 seq,res
character*5 atom
character*80 card
- double precision sccor(3,20)
+ double precision sccor(3,50)
integer rescode,iterter(maxres)
do i=1,maxres
iterter(i)=0
return
end
-
-