box shift in wham from Adam

[unres.git] / source / wham / src-M / cxread.F

diff --git a/source/wham/src-M/cxread.F b/source/wham/src-M/cxread.F
index c4cc7bb..15777b1 100644 (file)
--- a/source/wham/src-M/cxread.F
+++ b/source/wham/src-M/cxread.F
@@ -5,6 +5,7 @@
       include 'DIMENSIONS.FREE'
       integer MaxTraj
       parameter (MaxTraj=2050)
+      include 'COMMON.CONTROL'
       include 'COMMON.CHAIN'
       include 'COMMON.INTERACT'
       include 'COMMON.NAMES'
@@ -167,6 +168,20 @@ c      call flush(iout)
         enddo
       enddo
 
+c Box shift  
+      call oligomer
+      do i=1,nres
+        do j=1,3
+          xoord(j,i)=c(j,i)
+        enddo
+      enddo  
+      do i=1,nct-nnt+1
+        do j=1,3
+          xoord(j,i+nres)=c(j,i+nres+nnt-1)
+        enddo
+      enddo  
+c end change 
+
       if (islice.gt.0 .and. islice.le.nslice .and. (.not.separate_parset
      &    .or. iset.eq.myparm)) then
         ii=ii+1