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cmake src_CSA default -std=legacy
[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 'DIMENSIONS.FREE'
integer MaxTraj
parameter (MaxTraj=2050)
+ include 'COMMON.CONTROL'
include 'COMMON.CHAIN'
include 'COMMON.INTERACT'
include 'COMMON.NAMES'
include 'COMMON.CHAIN'
include 'COMMON.INTERACT'
include 'COMMON.NAMES'
@@
-167,6
+168,20
@@
c call flush(iout)
enddo
enddo
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
if (islice.gt.0 .and. islice.le.nslice .and. (.not.separate_parset
& .or. iset.eq.myparm)) then
ii=ii+1