X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=PARAM%2Fcation_param.parm;fp=PARAM%2Fcation_param.parm;h=c6bf926201c3a00a5f210c8c2ebe7655f991f6eb;hb=254aac5de5a2d56e17a059d77c5f32f7b77a41fa;hp=0000000000000000000000000000000000000000;hpb=2650964d21aca13b28a8aae5666998afb2540cbd;p=unres4.git diff --git a/PARAM/cation_param.parm b/PARAM/cation_param.parm new file mode 100644 index 0000000..c6bf926 --- /dev/null +++ b/PARAM/cation_param.parm @@ -0,0 +1,11 @@ + 23.0 1.868 + 24.0 0.793 + 39.0 2.650 + 40.0 1.713 + 35.5 2.470 +7 +-1381.06 282.2 -203.7 3.0 0.1 3.5 0.12 +-1426.87 -98.92 -2454.0 3.0 0.1 3.5 0.02 +0 -70.79 1499.0 3.0 0.1 3.5 0.05 +0 -93.13 1975.0 3.0 0.1 3.5 0.01 +wc wdip wquad1 wquad2 epsilonLJ r0lJ sigm