projects
/
unres.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
Merge branch 'prerelease-3.2.1' into czarek
[unres.git]
/
source
/
unres
/
src_MD
/
parmread.F
diff --git
a/source/unres/src_MD/parmread.F
b/source/unres/src_MD/parmread.F
index
bdc3809
..
13f4882
100644
(file)
--- a/
source/unres/src_MD/parmread.F
+++ b/
source/unres/src_MD/parmread.F
@@
-565,7
+565,8
@@
cc maxinter is maximum interaction sites
do l=1,maxinter
do i=1,nsccortyp
do j=1,nsccortyp
do l=1,maxinter
do i=1,nsccortyp
do j=1,nsccortyp
- read (isccor,*,end=119,err=119) nterm_sccor(i,j),nlor_sccor(i,j)
+ read (isccor,*,end=119,err=119)
+ & nterm_sccor(i,j),nlor_sccor(i,j)
v0ijsccor=0.0d0
si=-1.0d0
v0ijsccor=0.0d0
si=-1.0d0
@@
-965,6
+966,9
@@
c v3ss=0.0d0
goto 999
113 write (iout,*) "Error reading torsional energy parameters."
goto 999
goto 999
113 write (iout,*) "Error reading torsional energy parameters."
goto 999
+ 1113 write (iout,*)
+ & "Error reading side-chain torsional energy parameters."
+ goto 999
114 write (iout,*) "Error reading double torsional energy parameters."
goto 999
115 write (iout,*)
114 write (iout,*) "Error reading double torsional energy parameters."
goto 999
115 write (iout,*)