X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=PARAM%2FTiO2_fin.parm;h=acbdf67699e742672a48160065ad0cf467afeeb6;hb=bbbdc8e18680625d3004f414aec255e9ca7b7353;hp=a03bc3bc5e8e0c776341a4707e4adedad1eb6a89;hpb=7c0faf2ccb6f94ed9a77aa527d3885ba054d3fb2;p=unres4.git diff --git a/PARAM/TiO2_fin.parm b/PARAM/TiO2_fin.parm index a03bc3b..acbdf67 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