added GB params for charmm MCH3S

diff --git a/share/top/charmm27.ff/gb.itp b/share/top/charmm27.ff/gb.itp
index a4f29e117c2fb5b4d99ef3949085394730fb4e95..bdd87ef10b710f6200255c012a3fb1a71d178e24 100644 (file)
--- a/share/top/charmm27.ff/gb.itp
+++ b/share/top/charmm27.ff/gb.itp
@@ -41,6 +41,7 @@
  HP             0.1     1       1       0.125    0.85 ; H
  NY             0.155   1       1.028   0.17063  0.79 ; N
  CPT            0.172   0.012   1.554   0.1875   0.72 ; C     
- MNH3          0       0       0       0        0    ; vsite (rigid tetrahedrical NH3 group)
- MNH2          0       0       0       0        0    ; vsite
- MCH3          0       0       0       0        0    ; vsite (rigid CH3 group)
\ No newline at end of file
+ MNH3          0       0       0       0        0    ; dummy mass
+ MNH2          0       0       0       0        0    ; dummy mass
+ MCH3          0       0       0       0        0    ; dummy mass
+ MCH3S         0       0       0       0        0    ; dummy mass