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Added dummy mass for charmm TYR aromatic vsites
[alexxy/gromacs.git]
/
share
/
top
/
charmm27.ff
/
gb.itp
diff --git
a/share/top/charmm27.ff/gb.itp
b/share/top/charmm27.ff/gb.itp
index bdd87ef10b710f6200255c012a3fb1a71d178e24..33d51c6d94169909a129d9ca24a2323e58b47285 100644
(file)
--- a/
share/top/charmm27.ff/gb.itp
+++ b/
share/top/charmm27.ff/gb.itp
@@
-45,3
+45,4
@@
MNH2 0 0 0 0 0 ; dummy mass
MCH3 0 0 0 0 0 ; dummy mass
MCH3S 0 0 0 0 0 ; dummy mass
+ MW 0 0 0 0 0