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Made MW of the Vsite particle type.
[alexxy/gromacs.git]
/
share
/
top
/
encads.ff
/
ffnonbonded.itp
diff --git
a/share/top/encads.ff/ffnonbonded.itp
b/share/top/encads.ff/ffnonbonded.itp
index 22b8cca173aaa5dff09b1f745e063123207e99ab..4081f3eae89d4f35b51b855800dbe611c9443d9b 100644
(file)
--- a/
share/top/encads.ff/ffnonbonded.itp
+++ b/
share/top/encads.ff/ffnonbonded.itp
@@
-42,7
+42,7
@@
NA 11 22.9898 0.0 A 2.40543e-01 7.73161e-01
MCH3 0 0.0 0.0 A 0.0 0.0
MNH3 0 0.0 0.0 A 0.0 0.0
- MW 0 0.0 0.0
A
0.0 0.0
+ MW 0 0.0 0.0
D
0.0 0.0
[ nonbond_params ]
; i j func c6 c12