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