projects
/
unres.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
ctest NEWCORR
[unres.git]
/
source
/
unres
/
src_MD-M
/
initialize_p.F
diff --git
a/source/unres/src_MD-M/initialize_p.F
b/source/unres/src_MD-M/initialize_p.F
index
bdc3269
..
15f1e19
100644
(file)
--- a/
source/unres/src_MD-M/initialize_p.F
+++ b/
source/unres/src_MD-M/initialize_p.F
@@
-630,12
+630,13
@@
c & " ivec_start",ivec_start," ivec_end",ivec_end
call int_bounds(ndih_constr,idihconstr_start,idihconstr_end)
endif
if (ntheta_constr.eq.0) then
call int_bounds(ndih_constr,idihconstr_start,idihconstr_end)
endif
if (ntheta_constr.eq.0) then
- idihconstr_start=1
- idihconstr_end=0
+ ithetaconstr_start=1
+ ithetaconstr_end=0
else
call int_bounds
& (ntheta_constr,ithetaconstr_start,ithetaconstr_end)
endif
else
call int_bounds
& (ntheta_constr,ithetaconstr_start,ithetaconstr_end)
endif
+C print *,ntheta_constr,ithetaconstr_start,ithetaconstr_end
c nsumgrad=(nres-nnt)*(nres-nnt+1)/2
c nlen=nres-nnt+1
nsumgrad=(nres-nnt)*(nres-nnt+1)/2
c nsumgrad=(nres-nnt)*(nres-nnt+1)/2
c nlen=nres-nnt+1
nsumgrad=(nres-nnt)*(nres-nnt+1)/2