biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
| inline |
side by side
Made MW of the Vsite particle type.
[alexxy/gromacs.git]
/
share
/
top
/
gmx2.ff
/
ffnonbonded.itp
diff --git
a/share/top/gmx2.ff/ffnonbonded.itp
b/share/top/gmx2.ff/ffnonbonded.itp
index ad2afa69fa4eaae01fb1ababc0e035496edfa3b3..071a275c6efe7d55227c74074b9c8d5771e40bfb 100644
(file)
--- a/
share/top/gmx2.ff/ffnonbonded.itp
+++ b/
share/top/gmx2.ff/ffnonbonded.itp
@@
-60,7
+60,7
@@
CHE 6 12.01100 0.000 A 0.23402E-02 0.33740E-05
MNH3 0 0.0 0.000 A 0.0 0.0
MCH3 0 0.0 0.000 A 0.0 0.0
- MW 0 0.0 0.000
A
0.0 0.0
+ MW 0 0.0 0.000
D
0.0 0.0
[ nonbond_params ]
; i j func c6 c12