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Made MW of the Vsite particle type.
[alexxy/gromacs.git]
/
share
/
top
/
gromos45a3.ff
/
ffnonbonded.itp
diff --git
a/share/top/gromos45a3.ff/ffnonbonded.itp
b/share/top/gromos45a3.ff/ffnonbonded.itp
index 9ba98bb4bb7cd02176ad34117128d8f178f85864..93f6ae843f485a785c9d4d3543c5530b86c11aff 100644
(file)
--- a/
share/top/gromos45a3.ff/ffnonbonded.itp
+++ b/
share/top/gromos45a3.ff/ffnonbonded.itp
@@
-47,7
+47,7
@@
CLCl4 17 0.000 0.000 A 0.0076040144 1.2767758e-05
CH0 6 0.000 0.000 A 0.0023970816 0.0002053489
SI 14 0.000 0.000 A 0.01473796 2.2193521e-05
MNH3 0 0.000 0.000 A 0.0 0.0
- MW 0 0.000 0.000
A
0.0 0.0
+ MW 0 0.000 0.000
D
0.0 0.0
[ nonbond_params ]
; i j func c6 c12