Merge branch 'UCGM' of mmka.chem.univ.gda.pl:unres4 into UCGM

[unres4.git] / source / cluster / io_clust.F90

diff --git a/source/cluster/io_clust.F90 b/source/cluster/io_clust.F90
index ed4ccc3..3b3a134 100644 (file)
--- a/source/cluster/io_clust.F90
+++ b/source/cluster/io_clust.F90
@@ -1493,6 +1493,7 @@
       call reada(weightcard,'WPEPBASE',wpepbase,1.0d0)
       call reada(weightcard,'WSCPHO',wscpho,0.0d0)
       call reada(weightcard,'WPEPPHO',wpeppho,0.0d0)
+      call reada(weightcard,'WCATNUCL',wcatnucl,0.0d0)
 
       call reada(weightcard,"D0CM",d0cm,3.78d0)
       call reada(weightcard,"AKCM",akcm,15.1d0)
@@ -1562,6 +1563,8 @@
           weights(46)=wscbase
           weights(47)=wscpho
           weights(48)=wpeppho
+          weights(49)=wpeppho
+          weights(50)=wcatnucl
 
 
       write (iout,10) wsc,wscp,welec,wvdwpp,wbond,wang,wscloc,wtor,&
@@ -1870,6 +1873,8 @@ write(iout,*)"po setup var"
       open (itube,file=tubename,status='old')
       call getenv('IONPAR',ionname)
       open (iion,file=ionname,status='old')
+      call getenv('IONPAR_NUCL',ionnuclname)
+      open (iionnucl,file=ionnuclname,status='old')
 
 #ifndef OLDSCP
 !
@@ -1946,7 +1951,7 @@ write(iout,*)"po setup var"
           write (ipdb,'(a)') 'TER'
         else
         ires=ires+1
-        if (ires.eq.2) then
+        if ((ires.eq.2).and.(mnum.ne.5)) then
          do j=1,3
          cbeg(j)=c(j,i-1)
          enddo