X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fwham%2Fsrc-M%2Fcxread.F;h=15777b1bd91fde55ee58c45af7edd5d6bfadff64;hb=refs%2Fheads%2Fhomology;hp=c4cc7bb0836af7fec7b790b59edc9b12e2b58505;hpb=0ff0f56e5628a7493beb4a8e6facea26f5b852b2;p=unres.git diff --git a/source/wham/src-M/cxread.F b/source/wham/src-M/cxread.F index c4cc7bb..15777b1 100644 --- 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