projects
/
unres.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
introduction of quartic an Lonrentz constrains to WHAM
[unres.git]
/
source
/
wham
/
src-M
/
read_dist_constr.F
diff --git
a/source/wham/src-M/read_dist_constr.F
b/source/wham/src-M/read_dist_constr.F
index
3d803bb
..
2e9ba3b
100644
(file)
--- a/
source/wham/src-M/read_dist_constr.F
+++ b/
source/wham/src-M/read_dist_constr.F
@@
-96,6
+96,11
@@
c write (iout,*) i,ifrag_(1,i),ifrag_(2,i),wfrag_(i)
endif
enddo
do i=1,ndist_
endif
enddo
do i=1,ndist_
+ if (constr_dist.eq.11) then
+ read (inp,*) ihpb(nhpb+1),jhpb(nhpb+1),dhpb(i),dhpb1(i),
+ & ibecarb(i),forcon(nhpb+1),fordepth(nhpb+1)
+ fordepth(nhpb+1)=fordepth(nhpb+1)/forcon(nhpb+1)
+ else
read (inp,*) ihpb(nhpb+1),jhpb(nhpb+1),forcon(nhpb+1)
if (forcon(nhpb+1).gt.0.0d0) then
nhpb=nhpb+1
read (inp,*) ihpb(nhpb+1),jhpb(nhpb+1),forcon(nhpb+1)
if (forcon(nhpb+1).gt.0.0d0) then
nhpb=nhpb+1
@@
-103,6
+108,7
@@
c write (iout,*) i,ifrag_(1,i),ifrag_(2,i),wfrag_(i)
write (iout,'(a,3i5,f8.2,f10.1)') "+dist.constr ",
& nhpb,ihpb(nhpb),jhpb(nhpb),dhpb(nhpb),forcon(nhpb)
endif
write (iout,'(a,3i5,f8.2,f10.1)') "+dist.constr ",
& nhpb,ihpb(nhpb),jhpb(nhpb),dhpb(nhpb),forcon(nhpb)
endif
+ endif
enddo
call flush(iout)
return
enddo
call flush(iout)
return