weights_(41)=wcatcat
weights_(42)=wcatprot
weights_(46)=wscbase
- weights_(47)=wscpho
- weights_(48)=wpeppho
+ weights_(47)=wpepbase
+ weights_(48)=wscpho
+ weights_(49)=wpeppho
! wcatcat= weights(41)
! wcatprot=weights(42)
wcatcat= weights(41)
wcatprot=weights(42)
wscbase=weights(46)
- wscpho=weights(47)
- wpeppho=weights(48)
+ wpepbase=weights(47)
+ wscpho=weights(48)
+ wpeppho=weights(49)
! welpsb=weights(28)*fact(1)
!
! wcorr_nucl= weights(37)*fact(1)
wcorr3_nucl=weights(38)*fact(2)
wtor_nucl= weights(35)*fact(1)
wtor_d_nucl=weights(36)*fact(2)
-
+ wpepbase=weights(47)*fact(1)
return
end subroutine rescale_weights
!-----------------------------------------------------------------------------
weights(41)=wcatcat
weights(42)=wcatprot
weights(46)=wscbase
- weights(47)=wscpho
- weights(48)=wpeppho
+ weights(47)=wpepbase
+ weights(48)=wscpho
+ weights(49)=wpeppho
if(me.eq.king.or..not.out1file) &
write (iout,10) wsc,wscp,welec,wvdwpp,wbond,wang,wscloc,wtor,&
do i=1,nres_molec(molec)
itmp=itmp+1
istype(itmp)=sugarcode(sequence(i,molec)(1:1),i)
- itype(itmp,molec)=rescode(i,sequence(i,molec)(2:2),iscode,molec)
+ itype(itmp,molec)=rescode(i,sequence(i,molec)(1:2),iscode,molec)
enddo
endif