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Fixed the homology gradient in finegrain mode
[unres.git]
/
source
/
unres
/
src_MD
/
readpdb.F
diff --git
a/source/unres/src_MD/readpdb.F
b/source/unres/src_MD/readpdb.F
index
3ce8334
..
eaf41c8
100644
(file)
--- a/
source/unres/src_MD/readpdb.F
+++ b/
source/unres/src_MD/readpdb.F
@@
-15,7
+15,7
@@
C geometry.
include 'COMMON.SETUP'
integer i,j,ibeg,ishift1,ires,iii,ires_old,ishift,ity,
& ishift_pdb
include 'COMMON.SETUP'
integer i,j,ibeg,ishift1,ires,iii,ires_old,ishift,ity,
& ishift_pdb
- logical lprn /.true./,fail
+ logical lprn /.false./,fail
double precision e1(3),e2(3),e3(3)
double precision dcj,efree_temp
character*3 seq,res
double precision e1(3),e2(3),e3(3)
double precision dcj,efree_temp
character*3 seq,res
@@
-144,7
+144,10
@@
c write (iout,*) "sidechain ",atom
endif
endif
enddo
endif
endif
enddo
- 10 write (iout,'(a,i5)') ' Number of residues found: ',ires
+ 10 continue
+#ifdef DEBUG
+ write (iout,'(a,i5)') ' Number of residues found: ',ires
+#endif
if (ires.eq.0) return
C Calculate the CM of the last side chain.
if (iii.gt.0) then
if (ires.eq.0) return
C Calculate the CM of the last side chain.
if (iii.gt.0) then