From 450269721c58c63ed3ab30f4a0cd14cbc65da30a Mon Sep 17 00:00:00 2001 From: Adam Kazimierz Sieradzan Date: Wed, 21 Nov 2012 04:05:35 -0500 Subject: [PATCH] Zmiana gitignore i parametrow rotamerycznych --- .gitignore | 1 + PARAM/rotamers_AM1_aura_ext.10022007.parm | 1520 +++++++++++++++++++++++++++++ 2 files changed, 1521 insertions(+) create mode 100644 PARAM/rotamers_AM1_aura_ext.10022007.parm diff --git a/.gitignore b/.gitignore index 3204def..77eb558 100644 --- a/.gitignore +++ b/.gitignore @@ -17,5 +17,6 @@ mapcheck/ run/ sympcheck/ bin/unres/MD/unres_ifort_MPICH_GAB_czyt.exe +bin/unres/MD-M/unres_Tc_procor_newparm_em64-D-symetr.exe DIL compinfo diff --git a/PARAM/rotamers_AM1_aura_ext.10022007.parm b/PARAM/rotamers_AM1_aura_ext.10022007.parm new file mode 100644 index 0000000..3ca28d9 --- /dev/null +++ b/PARAM/rotamers_AM1_aura_ext.10022007.parm @@ -0,0 +1,1520 @@ +cys +2.516050 +1.519290 +-0.549712 +-1.031160 +1.143970 +2.488560 +-1.092110 +2.234960 +-0.755595 +1.289450 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