wbond=ww(18)
wsccor=ww(19)
whpb=ww(15)
+ wstrain=ww(15)
endif
call card_concat(controlcard,.false.)
enddo
enddo
enddo
- write (iout,*) "KURWA1"
+C write (iout,*) "KURWA1"
do iblock=1,2
do i=0,nthetyp
do j=-nthetyp,nthetyp
enddo
enddo
enddo
- write(iout,*) "KURWA1.1"
+C write(iout,*) "KURWA1.1"
C
C For dummy ends assign glycine-type coefficients of theta-only terms; the
C coefficients of theta-and-gamma-dependent terms are zero.
aa0thet(nthetyp+1,i,nthetyp+1,iblock)=0.0d0
enddo
enddo
- write(iout,*) "KURWA1.5"
+C write(iout,*) "KURWA1.5"
C Substitution for D aminoacids from symmetry.
do iblock=1,2
do i=-nthetyp,0
call flush(iout)
endif
#endif
- write(iout,*) 'KURWA2'
+C write(iout,*) 'KURWA2'
#ifdef CRYST_SC
C
C Read the parameters of the probability distribution/energy expression
enddo
#endif
close(irotam)
- write (iout,*) 'KURWAKURWA'
+C write (iout,*) 'KURWAKURWA'
#ifdef CRYST_TOR
C
C Read torsional parameters in old format
write (iout,*) dyn_ss,'dyndyn'
if (dyn_ss) then
ss_depth=ebr/wsc-0.25*eps(1,1)
- write(iout,*) akcm,whpb,wsc,'KURWA'
+C write(iout,*) akcm,whpb,wsc,'KURWA'
Ht=Ht/wsc-0.25*eps(1,1)
akcm=akcm*whpb/wsc