Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres into adasko

[unres.git] / PARAM / bond_AM1_ext.parm

diff --git a/PARAM/bond_AM1_ext.parm b/PARAM/bond_AM1_ext.parm
new file mode 100644 (file)
index 0000000..333a43f
--- /dev/null
+++ b/PARAM/bond_AM1_ext.parm
@@ -0,0 +1,26 @@
+1 3.800  41.7  0.000                                        43.0  14.33  2.5  ! peptide group
+1 1.396 243.1  0.000                                        59.0  19.67  5.0  ! Cys
+2 2.103  71.3  0.850 2.500 128.0  0.033                     88.0  29.33  6.2  ! Met
+1 2.997 124.6  0.000                                       104.0  34.67  6.8  ! Phe
+2 1.645 260.7  0.857 1.908 312.6 .00010                     70.0  23.33  6.2  ! Ile
+2 1.782 638.3  2.360 2.086 160.4  0.409                     70.0  23.33  6.3  ! Leu
+1 1.488 294.4  0.000                                        56.0  18.67  5.8  ! Val
+2 3.368 123.1  0.000 3.686 129.1 .00049                    143.0  47.67  7.2  ! Trp
+1 3.362 113.2  0.000                                       120.0  40.00  6.9  ! Tyr
+1 0.778 353.0  0.000                                        28.0   9.33  4.6  ! Ala
+0                                                           14.0   0.00  3.8  ! Gly
+1 1.480 295.8  0.000                                        58.0  19.33  5.6  ! Thr
+1 1.311 269.6  0.000                                        44.0  14.67  4.8  ! Ser
+3 2.125 147.9  2.125 2.424 138.9  .0333 2.776 383.8  0.000  85.0  28.33  6.1  ! Gln
+1 2.008 161.4  0.000                                        71.0  23.67  5.7  ! Asn
+3 2.093 131.2  1.943 2.425 146.5  .0263 2.784 479.3  0.784  85.0  28.33  6.1  ! Glu
+1 2.030 160.2  0.000                                        71.0  23.67  5.6  ! Asp
+1 2.739 134.5  0.000                                        95.0  31.67  6.2  ! His
+3 2.644  48.8  1.707 3.433  34.8 .00123 4.080 899.9  1.175 114.0  38.00  6.8  ! Arg
+3 2.379  99.0  1.974 2.704 157.5  0.546 3.073 164.7  0.055  86.0  28.67  6.3  ! Lys
+1 1.422 605.2  0.000                                        71.0  23.67  5.6  ! Pro
+2 2.142  71.3  0.850 2.500 128.0  0.033                    135.0  45.00  6.2  ! SeMet
+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
+