correction in new ions and clusterfix

[unres4.git] / source / unres / io.F90

diff --git a/source/unres/io.F90 b/source/unres/io.F90
index 86b40ef..61270e5 100644 (file)
--- a/source/unres/io.F90
+++ b/source/unres/io.F90
@@ -807,6 +807,7 @@
       call reada(weightcard,'WBOND_NUCL',wbond_nucl,0.0D0)
       call reada(weightcard,'WCATCAT',wcatcat,0.0d0)
       call reada(weightcard,'WCATPROT',wcatprot,0.0d0)
+      call reada(weightcard,'WCATNUCL',wcatnucl,0.0d0)
       call reada(weightcard,'WPEPBASE',wpepbase,1.0d0)
       call reada(weightcard,'WSCPHO',wscpho,0.0d0)
       call reada(weightcard,'WPEPPHO',wpeppho,0.0d0)
@@ -852,6 +853,7 @@
           weights(47)=wpepbase
           weights(48)=wscpho
           weights(49)=wpeppho
+          weights(50)=wcatnucl
 
       if(me.eq.king.or..not.out1file) &
        write (iout,10) wsc,wscp,welec,wvdwpp,wbond,wang,wscloc,wtor,&
@@ -1225,6 +1227,7 @@
         enddo 
       else if (ndih_constr.lt.0) then
         raw_psipred=.true.
+        allocate(idih_constr(nres))
         allocate(secprob(3,nres))
         allocate(vpsipred(3,nres))
         allocate(sdihed(2,nres))