extension tu fosforylated potentials

[unres4.git] / source / unres / geometry.f90

diff --git a/source/unres/geometry.f90 b/source/unres/geometry.f90
index ddb705f..2287f0a 100644 (file)
--- a/source/unres/geometry.f90
+++ b/source/unres/geometry.f90
@@ -3724,6 +3724,7 @@
         allareout=1
 !C change suggested by Ana -end
         do i=1,nres-1
+           mnum=molnum(i)
          if ((itype(i,mnum).eq.ntyp1_molec(mnum))&
             .and.(itype(i+1,mnum).eq.ntyp1_molec(mnum))) then
           chain_end=i
@@ -3952,6 +3953,9 @@
           c(1,i)=dmod(c(1,i),boxxsize)
           c(2,i)=dmod(c(2,i),boxysize)
           c(3,i)=dmod(c(3,i),boxzsize)
+          c(1,i+nres)=dmod(c(1,i+nres),boxxsize)
+          c(2,i+nres)=dmod(c(2,i+nres),boxysize)
+          c(3,i+nres)=dmod(c(3,i+nres),boxzsize)
          endif
         enddo
         return