parameter (maxcont_res=200)
C Max. number of distance/contact-distance restraints
integer maxdim_cont
- parameter (maxdim_cont=maxres*6000)
+ parameter (maxdim_cont=maxres*1000)
C Number of AA types (at present only natural AA's will be handled
integer ntyp,ntyp1
parameter (ntyp=24,ntyp1=ntyp+1)
endif
sigma_odl(k,ii)=1.0d0/(sigma_odl(k,ii)*sigma_odl(k,ii))
else
- ii=ii+1
- l_homo(k,ii)=.false.
+ct ii=ii+1
+ct l_homo(k,ii)=.false.
endif
enddo
enddo
if(me.eq.king .or. .not. out1file .and. fg_rank.eq.0) then
write (iout,*) "Distance restraints from templates"
do ii=1,lim_odl
- write(iout,'(3i5,100(2f8.2,1x,l1,4x))')
+ write(iout,'(i8,2i5,100(f8.2,e12.4,1x,l1,4x))')
& ii,ires_homo(ii),jres_homo(ii),
& (odl(ki,ii),1.0d0/dsqrt(sigma_odl(ki,ii)),l_homo(ki,ii),
& ki=1,constr_homology)