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clean fix revert to previous vestion
[unres.git]
/
source
/
unres
/
src_MD-M
/
readpdb.F
diff --git
a/source/unres/src_MD-M/readpdb.F
b/source/unres/src_MD-M/readpdb.F
index
3caff57
..
48bb75a
100644
(file)
--- a/
source/unres/src_MD-M/readpdb.F
+++ b/
source/unres/src_MD-M/readpdb.F
@@
-17,7
+17,7
@@
C geometry.
character*80 card
dimension sccor(3,20)
double precision e1(3),e2(3),e3(3)
character*80 card
dimension sccor(3,20)
double precision e1(3),e2(3),e3(3)
- integer rescode,iterter(maxres)
+ integer rescode,iterter(maxres),cou
logical fail
do i=1,maxres
iterter(i)=0
logical fail
do i=1,maxres
iterter(i)=0
@@
-310,7
+310,9
@@
c enddo
c enddiagnostic
C makes copy of chains
write (iout,*) "symetr", symetr
c enddiagnostic
C makes copy of chains
write (iout,*) "symetr", symetr
-
+ do j=1,3
+ dc(j,0)=c(j,1)
+ enddo
if (symetr.gt.1) then
call permut(symetr)
nperm=1
if (symetr.gt.1) then
call permut(symetr)
nperm=1