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Adam's new constr_dist
[unres.git]
/
source
/
fragments
/
suppdb_ca_dis.f
diff --git
a/source/fragments/suppdb_ca_dis.f
b/source/fragments/suppdb_ca_dis.f
index
50b09ce
..
3ea7a02
100644
(file)
--- a/
source/fragments/suppdb_ca_dis.f
+++ b/
source/fragments/suppdb_ca_dis.f
@@
-143,7
+143,7
@@
& rms(i,imax(i)), ! rms(i,imax(i))/sqrt(float(i)),
& rmsave ! ,rmsave/sqrt(float(i))
enddo
& rms(i,imax(i)), ! rms(i,imax(i))/sqrt(float(i)),
& rmsave ! ,rmsave/sqrt(float(i))
enddo
- rmscut=4.0d0
+ rmscut=7.0d0
rmscut1=1.0d0*rmscut
do i4=nsup,4,-1
if (rms(i4,imin(i4)).le.rmscut) exit
rmscut1=1.0d0*rmscut
do i4=nsup,4,-1
if (rms(i4,imin(i4)).le.rmscut) exit
@@
-332,7
+332,7
@@
c if (dsqrt(sumdiff/dfloat(i)).lt.rmscut1) then
ENDDO
ENDDO
- write (2,'(5000i1)') (frag(i),i=1,resnum2-resnum1+1)
+ write (2,'(5000i2)') (frag(i),i=1,resnum2-resnum1+1)
stop 777
111 print '(2a)','Error opening input file ',fnam1(:len_trim(fnam1))
stop 111
stop 777
111 print '(2a)','Error opening input file ',fnam1(:len_trim(fnam1))
stop 111