nanophere working

[unres.git] / PARAM / TiO2.parm

diff --git a/PARAM/TiO2.parm b/PARAM/TiO2.parm
index e236309..cb975e5 100644 (file)
--- a/PARAM/TiO2.parm
+++ b/PARAM/TiO2.parm
@@ -1 +1,25 @@
-   1   0.286   4.508     1.491    -0.238    -2.215   3.922E-14 ! Cys\r   2   4.173   4.136  -143.035    28.494   180.705   1.086E-10 ! Met\r   1  10.793   4.152  -250.420    48.235   328.091   7.237E-11 ! Phe\r   2   9.872   3.799  -308.062    62.468   382.714   3.262E-10 ! Ile\r   2  12.025   4.056  -448.084    90.596   559.212   2.482E-10 ! Leu\r   1   3.929   3.894  -241.329    50.844   288.017   6.165E-10 ! Val\r   2   0.285   5.797   738.577  -155.331  -884.672   3.662E-09 ! Trp\r   1  29.509   4.046  -648.094   126.324   840.706   1.297E-10 ! Tyr\r   1   0.058   4.710     0.612    -0.108    -0.790  -3.640E-14 ! Ala\r   0   0.000   0.000     0.000     0.000     0.000   0.000E+00 ! Gly\r   1 163.545   1.976 -5996.349  1676.896  5422.473   5.557E-13 ! Thr\r   1 158.959   1.810 -8243.740  2491.600  6900.467   1.632E-11 ! Ser\r   3   1.582   3.601   673.244  -173.206  -646.238   4.709E-08 ! Gln\r   1   7.354   3.256  -485.919   112.979   530.772   9.510E-16 ! Asn\r   3  25.379   2.776  -729.290   168.012   800.982   2.274E-16 ! Glu\r   1  25.969   2.505  -711.633   167.698   761.605   8.831E-16 ! Asp\r   1   6.267   3.952  -176.750    35.322   222.723   1.641E-10 ! His\r   3   0.755   4.649     6.176    -0.945    -9.823   1.249E-13 ! Arg\r   3   0.001   8.312     2.122     0.132    -6.640   3.808E-11 ! Lys\r   1   0.000   0.000     0.000     0.000     0.000   0.000E+00 ! Pro\r
\ No newline at end of file
+   0.058   4.710                                            0.00 ! Pep                                        
+   0.286   4.508     1.491    -0.238    -2.215   3.922E-14  0.00 ! Cys
+   4.173   4.136  -143.035    28.494   180.705   1.086E-10  0.00 ! Met
+  10.793   4.152  -250.420    48.235   328.091   7.237E-11  0.00 ! Phe
+   9.872   3.799  -308.062    62.468   382.714   3.262E-10  0.00 ! Ile
+  12.025   4.056  -448.084    90.596   559.212   2.482E-10  0.00 ! Leu
+   3.929   3.894  -241.329    50.844   288.017   6.165E-10  0.00 ! Val
+   0.285   5.797   738.577  -155.331  -884.672   3.662E-09  0.00 ! Trp
+  29.509   4.046  -648.094   126.324   840.706   1.297E-10  0.00 ! Tyr
+   0.058   4.710     0.612    -0.108    -0.790  -3.640E-14  0.00 ! Ala
+   0.000   0.000     0.000     0.000     0.000   0.000E+00  0.00 ! Gly
+ 163.545   1.976 -5996.349  1676.896  5422.473   5.557E-13  0.00 ! Thr
+ 158.959   1.810 -8243.740  2491.600  6900.467   1.632E-11  0.00 ! Ser
+   1.582   3.601   673.244  -173.206  -646.238   4.709E-08  0.00 ! Gln
+   7.354   3.256  -485.919   112.979   530.772   9.510E-16  0.00 ! Asn
+  25.379   2.776  -729.290   168.012   800.982   2.274E-16  0.00 ! Glu
+  25.969   2.505  -711.633   167.698   761.605   8.831E-16  0.00 ! Asp
+   6.267   3.952  -176.750    35.322   222.723   1.641E-10  0.00 ! His
+   0.755   4.649     6.176    -0.945    -9.823   1.249E-13  0.00 ! Arg
+   0.001   8.312     2.122     0.132    -6.640   3.808E-11  0.00 ! Lys
+   0.000   0.000     0.000     0.000     0.000   0.000E+00  0.00 ! Pro
+   0.000   0.000     0.000     0.000     0.000   0.000E+00  0.00 ! Pro 
+   0.000   0.000     0.000     0.000     0.000   0.000E+00  0.00 ! Pro 
+   0.000   0.000     0.000     0.000     0.000   0.000E+00  0.00 ! Pro 
+   0.000   0.000     0.000     0.000     0.000   0.000E+00  0.00 ! Pro