projects
/
unres.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
changes in wham
[unres.git]
/
source
/
unres
/
src_MD-M
/
geomout.F
diff --git
a/source/unres/src_MD-M/geomout.F
b/source/unres/src_MD-M/geomout.F
index
eed41a2
..
23246df
100644
(file)
--- a/
source/unres/src_MD-M/geomout.F
+++ b/
source/unres/src_MD-M/geomout.F
@@
-471,7
+471,7
@@
C print *,'A CHUJ',potEcomp(23)
if (refstr) then
call rms_nac_nnc(rms,frac,frac_nn,co,.false.)
write (line1,'(i10,f15.2,3f12.3,f7.2,2f6.3,f12.3,f10.1,2f8.2,
if (refstr) then
call rms_nac_nnc(rms,frac,frac_nn,co,.false.)
write (line1,'(i10,f15.2,3f12.3,f7.2,2f6.3,f12.3,f10.1,2f8.2,
- & f9.2,i5,$)')
+ & f9.3,i5,$)')
& itime,totT,EK,potE,totE,
& rms,frac,frac_nn,kinetic_T,t_bath,gyrate(),
& distance,potEcomp(23),me
& itime,totT,EK,potE,totE,
& rms,frac,frac_nn,kinetic_T,t_bath,gyrate(),
& distance,potEcomp(23),me