X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=PARAM%2Ffourier_opt_ext.parm.1igd_hc_iter3_3_new;h=90b2fd8d5c1cdc20923ed616e3f277df74a873d9;hb=8814f42823f7d7054172441c4658870a48a69f31;hp=e2716955b1b09b61ad9f56cbf4be2c48a4437b29;hpb=269ceef4704dd323ebe98dfc1cf39f8bfe8e6f06;p=unres.git diff --git a/PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3_new b/PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3_new index e271695..90b2fd8 100644 --- a/PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3_new +++ b/PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3_new @@ -13,15 +13,15 @@ Gly -0.370576187607876 0.000000000000000 0.000000000000000 - 1.690252960 - -2.488163589 - 1.727273644 - 56.61546765 - -62.71714580 - 12.68062303 + 0.188851000 + -0.278001100 + 0.192987300 + 0.271815900 + -0.301110600 + 0.060880800 0.000 0.000 - -2.32212082 + -0.23221208 Ala 0.000000000000000 0.500261572719827 @@ -36,15 +36,15 @@ Ala 0.399942874780603 -0.543778421330412 0.400478498916355 - -1.608709643 - 3.552458989 - -3.667240262 - -10.99031979 - 19.19608239 - -13.13924373 + 0.077356800 + -0.170824400 + 0.176343800 + 0.183874200 + -0.311161200 + 0.219826900 0.000 0.000 - -4.629544339 + -0.4629844339 Pro 0.000000000000000 -1.286480000000000 @@ -59,12 +59,12 @@ Pro 0.103179000000000 0.316367000000000 0.045277200000000 - -0.031711477 - 0.052984626 - 0.0355027026 - 6.4333097 - 41.31123532 - -83.03293577 + 0.026985200 + -0.045087800 + -0.029806600 + 0.048920100 + 0.329346800 + -0.631398100 0.00 0.00 -0.935443555