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small changes in cation cation interactions and wham correction
[unres4.git]
/
PARAM
/
bond_AM1_ext_dum.parm
diff --git
a/PARAM/bond_AM1_ext_dum.parm
b/PARAM/bond_AM1_ext_dum.parm
index
cf2100e
..
f6f01b4
100644
(file)
--- a/
PARAM/bond_AM1_ext_dum.parm
+++ b/
PARAM/bond_AM1_ext_dum.parm
@@
-23,4
+23,8
@@
1 3.799 124.6 0.000 149.0 49.67 7.2 ! Dap(Bz)
1 0.743 353.00 0.000 42.0 14.00 4.7 ! Aib
1 1.210 353.00 0.000 42.0 14.00 5.6 ! Abu
1 3.799 124.6 0.000 149.0 49.67 7.2 ! Dap(Bz)
1 0.743 353.00 0.000 42.0 14.00 4.7 ! Aib
1 1.210 353.00 0.000 42.0 14.00 5.6 ! Abu
+1 4.162 113.2 0.000 215.0 71.67 7.3 ! Ptr Tyr-OP
+1 2.280 295.8 0.000 153.0 51.00 6.1 ! Tpo Thr-OP
+1 2.111 269.6 0.000 139.0 46.33 5.9 ! Sep Ser-OP
+