X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=PARAM%2Fscgauss_ext.parm;h=35af18f5eb206dd560c32285e36d76d93392047d;hb=3f6410ab3e2c02281d00f43c186d5e3c9f63b8fc;hp=cfb57baa03cf3687ba0bcaa8389e3999f967345a;hpb=35f220f409bd5d21be33a402d79da2c23d3e0c3a;p=unres4.git

diff --git a/PARAM/scgauss_ext.parm b/PARAM/scgauss_ext.parm
index cfb57ba..35af18f 100644
--- a/PARAM/scgauss_ext.parm
+++ b/PARAM/scgauss_ext.parm
@@ -227,3 +227,36 @@ ABU  2  1.210
     3.545637604391543E-01    2.516361001755047E+00   -1.405614220460048E+00
     2.602024141419324E+00   -3.306262412749110E+00    3.793823815282222E+00
    -2.711053897830787E-01   -1.110920333229469E-01    1.394289514741237E+00
+PTR  3  2.484
+    4.028666745713829E-01    2.519003276438601E+00   -2.961640954840339E+00
+    2.810344165608079E+00   -1.511517003072798E+00    5.824409353060568E+00
+    1.466134423268518E+00    1.192683001754308E+00    2.100881004969442E+00
+    4.671201937281126E-01
+    1.270875009009630E-01    2.394447070478641E+00   -1.827684477015144E-01
+    2.331550682785130E+00   -1.132358905395797E+00    7.193177319124498E+00
+   -1.022699111580738E+00   -2.721112738727777E+00    4.563594836270955E+00
+   -4.500643586478538E-01
+    1.225837549981350E+00    1.875587240640277E+00   -1.551335672790210E+00
+    1.943167657599241E+00   -1.940785649959641E+00    5.993343592431522E+00
+    3.664991318878045E+00    1.542184195088237E+00    4.927234334893407E+00
+PTO  3  1.393
+    5.396062211948021E-01    2.896860177830998E+00   -1.216721192952898E+00
+    4.969075609331727E+00   -2.794491848631561E+00    9.596330753868708E+00
+   -1.409200406451479E-01    1.514851393892751E-02    1.824412748816235E+00
+    4.594808606971496E-01
+    4.681166950347075E-01    2.368583199343734E+00   -1.621935088489747E+00
+    2.081815334126496E+00   -4.883219939543496E+00    4.187512631560888E+00
+   -2.005988215261086E+00   -9.795008722668578E-01    3.729136436139124E+00
+    2.881914774441310E+00
+    5.705085647645143E-02    2.477787901184960E+00   -1.294293372963355E+00
+    1.686093057525384E+01    9.551099284588697E-01    1.603877631675030E+01
+    6.010996622329809E-01    1.864352621160113E+00    1.251483195843141E+01
+SEP  2  1.150
+   -5.497069590255966E-01    1.933816215853224E+00   -1.272066735241571E+00
+    1.673075066955311E+00   -6.048541008624543E+00    5.568869961886437E+00
+    4.323468454867889E+00    5.728305342360822E+00    5.505848742322177E+00
+   -1.891146969473795E+00
+    3.545637604391543E-01    2.516361001755047E+00   -1.405614220460048E+00
+    2.602024141419324E+00   -3.306262412749110E+00    3.793823815282222E+00
+   -2.711053897830787E-01   -1.110920333229469E-01    1.394289514741237E+00
+