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Made MW of the Vsite particle type.
[alexxy/gromacs.git]
/
share
/
top
/
gromos54a7.ff
/
ffnonbonded.itp
diff --git
a/share/top/gromos54a7.ff/ffnonbonded.itp
b/share/top/gromos54a7.ff/ffnonbonded.itp
index 624a2c95a1fe643a1a5ecb34218d0e52f85f2c12..896450ffad895617537c568ef7a3c25172f6f532 100644
(file)
--- a/
share/top/gromos54a7.ff/ffnonbonded.itp
+++ b/
share/top/gromos54a7.ff/ffnonbonded.itp
@@
-55,7
+55,7
@@
OUrea 8 0.000 0.000 A 0.0023639044 1.5898688e-06
NUrea 7 0.000 0.000 A 0.0033527574 3.9509513e-06
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
CH3p 6 0.000 0.000 A 0.0096138025 2.6646244e-05
[ nonbond_params ]