biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ commitdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
| commitdiff |
tree
raw
|
patch
| inline |
side by side
(parent:
2e9ea42
)
removed tip5p from charmm27.ff/watermodels.dat, since several other files would need...
author
Berk Hess
<hess@csbl10.(none)>
Fri, 10 Sep 2010 09:35:13 +0000
(11:35 +0200)
committer
Berk Hess
<hess@csbl10.(none)>
Fri, 10 Sep 2010 09:35:13 +0000
(11:35 +0200)
share/top/charmm27.ff/watermodels.dat
patch
|
blob
|
history
diff --git
a/share/top/charmm27.ff/watermodels.dat
b/share/top/charmm27.ff/watermodels.dat
index 671895f895d7db40c3e12ce6efe78be64e2b4900..72f00cd5db86072aef34ef3cf47f5cbfba2fe856 100644
(file)
--- a/
share/top/charmm27.ff/watermodels.dat
+++ b/
share/top/charmm27.ff/watermodels.dat
@@
-1,6
+1,5
@@
tip3p TIP3P TIP 3-point, recommended
tip4p TIP4P TIP 4-point
-tip5p TIP5P TIP 5-point
tips3p TIPS3P CHARMM TIP 3-point with LJ on H's (note: twice as slow in GROMACS)
spc SPC simple point charge
spce SPC/E extended simple point charge