projects
/
unres.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
Fixed a MAJOR error in WHAM; energies were computed inconsistently
[unres.git]
/
source
/
wham
/
src
/
readrtns.F
diff --git
a/source/wham/src/readrtns.F
b/source/wham/src/readrtns.F
index
9fa6137
..
ad038e2
100644
(file)
--- a/
source/wham/src/readrtns.F
+++ b/
source/wham/src/readrtns.F
@@
-93,6
+93,9
@@
call readi(controlcard,'CONSTR_DIST',constr_dist,0)
write (iout,*) "with_dihed_constr ",with_dihed_constr,
& " CONSTR_DIST",constr_dist
call readi(controlcard,'CONSTR_DIST',constr_dist,0)
write (iout,*) "with_dihed_constr ",with_dihed_constr,
& " CONSTR_DIST",constr_dist
+ call readi(controlcard,'CONSTR_HOMOL',constr_homology,0)
+ write (iout,*) "with_homology_constr ",with_dihed_constr,
+ & " CONSTR_HOMOLOGY",constr_homology
refstr = index(controlcard,'REFSTR').gt.0
pdbref = index(controlcard,'PDBREF').gt.0
dyn_ss=(index(controlcard,'DYN_SS').gt.0)
refstr = index(controlcard,'REFSTR').gt.0
pdbref = index(controlcard,'PDBREF').gt.0
dyn_ss=(index(controlcard,'DYN_SS').gt.0)