X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=PARAM%2FTiO2_fin.parm;h=1f0e686f9d02ccecc48c0e6119565158d23ec807;hb=bc23440fbe68672d430f71f22f46b11265f003db;hp=a03bc3bc5e8e0c776341a4707e4adedad1eb6a89;hpb=affbf55b871a9bcc8fdb91efeb8e6bf7a3d8d003;p=unres4.git

diff --git a/PARAM/TiO2_fin.parm b/PARAM/TiO2_fin.parm
index a03bc3b..1f0e686 100644
--- a/PARAM/TiO2_fin.parm
+++ b/PARAM/TiO2_fin.parm
@@ -1,5 +1,5 @@
   3.929   3.894  -241.329    50.844   288.017   6.165E-10 0.0 ! Pep
-  0.174   4.496     2.222    -0.393    -3.104  -1.392E-12 0.0 ! Cys 
+  0.174   4.496     2.222    -0.393    -3.104   1.392E-12 0.0 ! Cys 
   4.173   4.136  -143.035    28.494   180.705   1.086E-10 0.0 ! Met 
  10.793   4.152  -250.420    48.235   328.091   7.237E-11 0.0 ! Phe 
   9.872   3.799  -308.062    62.468   382.714   3.262E-10 0.0 ! Ile 
@@ -7,7 +7,7 @@
   3.929   3.894  -241.329    50.844   288.017   6.165E-10 0.0 ! Val 
   0.285   5.797   738.577  -155.331  -884.672   3.662E-09 0.0 ! Trp 
  12.085   4.158  -275.901    53.658   358.248   1.287E-10 0.0 ! Tyr
-  0.142   4.512     2.390    -0.478    -2.867  -3.237E-12 0.0 ! Ala 
+  0.142   4.512     2.390    -0.478    -2.867   3.237E-12 0.0 ! Ala 
   0.000   0.000     0.000     0.000     0.000   0.000E+00 0.0 ! Gly 
   4.779   2.663   -43.436     9.048    51.955   1.735E-10 0.0 ! Thr
  10.487   2.236   -42.090     7.652    56.064   2.307E-11 0.0 ! Ser
@@ -23,3 +23,7 @@
    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
+   0.000   0.000     0.000     0.000     0.000   0.000E+00  0.00 ! Pro
+