X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMD%2Fwith_constrains%2FBerendsen%2Fff_1l2y%2Foutputs%2F1L2Y_MD_007.rst;fp=examples%2Funres%2FMD%2Fwith_constrains%2FBerendsen%2Fff_1l2y%2Foutputs%2F1L2Y_MD_007.rst;h=4dd8fba04d411c377ce3ebfdff13e7cbb67faccc;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/MD/with_constrains/Berendsen/ff_1l2y/outputs/1L2Y_MD_007.rst b/examples/unres/MD/with_constrains/Berendsen/ff_1l2y/outputs/1L2Y_MD_007.rst new file mode 100644 index 0000000..4dd8fba --- /dev/null +++ b/examples/unres/MD/with_constrains/Berendsen/ff_1l2y/outputs/1L2Y_MD_007.rst @@ -0,0 +1,90 @@ + 200000.000002666 33.2392818459945 -21.2664406633027 + 11.9728411826918 300.000000000000 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.46353E+00 0.37001E+00 0.51273E+00 + 0.29128E+00 -0.30112E+00 -0.16708E+00 + -0.15994E+00 -0.25119E-01 -0.47103E-02 + 0.17550E+00 0.58666E-01 0.11845E+00 + -0.54900E-01 -0.17793E-01 -0.28601E+00 + -0.25888E+00 0.93539E-01 0.16347E+00 + 0.32151E+00 0.52953E-01 0.97762E-01 + -0.17684E+00 -0.93804E-02 -0.12462E+00 + 0.93203E-01 -0.99660E-01 0.20051E+00 + -0.13968E+00 -0.62675E-01 -0.11530E+00 + 0.32519E+00 0.19019E+00 0.12587E+00 + -0.15887E+00 -0.81212E-01 -0.33836E+00 + -0.17650E+00 0.86048E-01 0.12618E+00 + 0.45331E-01 -0.17361E+00 0.32996E+00 + 0.11191E+00 0.63627E-01 -0.32053E+00 + -0.98005E-01 0.11953E+00 0.50948E-01 + 0.26074E-01 -0.40658E+00 -0.17627E+00 + 0.89052E-01 0.27556E+00 0.36509E+00 + -0.26692E+00 0.16837E+00 -0.26203E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.10951E+00 0.16653E+00 0.40019E+00 + 0.10715E+00 -0.95840E-01 -0.20200E-02 + -0.32653E-01 -0.48526E-01 -0.84969E-01 + 0.82380E-02 0.69879E-01 0.31774E-01 + -0.13377E+00 -0.80079E-01 -0.12072E+00 + 0.32976E-01 -0.66807E-01 0.16603E+00 + 0.16909E+00 0.10408E-01 -0.30250E-01 + -0.61100E-01 -0.17983E-01 -0.92076E-01 + -0.10790E-02 -0.14268E+00 -0.58047E-01 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.21784E+00 -0.35229E-01 -0.10768E+00 + 0.55216E-01 0.16105E-01 0.16390E+00 + 0.28768E-01 -0.23946E+00 0.55965E-01 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.11732E+00 -0.10719E+00 0.19288E-01 + 0.15884E-01 -0.22592E+00 -0.22939E-01 + -0.66200E-02 0.10014E+00 0.74594E-01 + 0.66419E-01 -0.12984E+00 -0.22599E+00 + 0.14735E+00 -0.19567E+00 0.21188E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.38605E+01 0.00000E+00 0.00000E+00 + 0.21353E+01 0.29510E+01 0.22250E+00 + 0.18646E+01 0.13003E+00 0.31388E+01 + 0.14862E+01 0.30773E+01 -0.16888E+01 + 0.12862E+01 0.20036E+00 0.36821E+01 + 0.25511E+01 -0.27076E+01 -0.76590E+00 + 0.16685E+01 0.23789E+01 -0.25979E+01 + 0.11901E+01 0.15662E+01 0.33738E+01 + 0.26987E+01 -0.29900E+01 -0.13700E+00 + 0.21894E+01 0.31099E+01 0.95842E-01 + -0.16575E+01 0.24246E+01 -0.25761E+01 + -0.73585E+00 -0.15281E+01 -0.34397E+01 + 0.30441E+01 -0.23406E+01 0.77118E+00 + 0.66787E+00 -0.32066E+01 0.16139E+01 + 0.34873E+01 -0.21955E+00 -0.11484E+01 + -0.16246E+01 0.62471E+00 -0.34728E+01 + -0.25783E+01 0.20261E+01 -0.19073E+01 + -0.37873E+01 -0.13273E+01 0.99849E+00 + -0.19734E+01 0.12361E+00 -0.33451E+01 + -0.32902E+01 0.70454E+00 0.11708E+01 + -0.33070E+01 0.86916E+00 -0.17872E+01 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.99827E+00 -0.16539E+01 -0.21704E+00 + -0.12617E+01 0.17586E+01 -0.18879E+00 + -0.35712E+00 -0.27060E+01 0.20600E+01 + -0.79265E+00 0.14063E+01 -0.93076E+00 + -0.16250E+01 0.12099E+01 0.18852E+01 + -0.15321E+01 -0.23494E+01 -0.19053E+01 + -0.13606E+01 0.10038E+00 -0.15584E+01 + -0.21287E+01 -0.59949E+00 0.21508E+01 + -0.13632E+01 -0.67279E+00 -0.13872E+01 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.53749E+00 0.12641E+01 -0.21805E+00 + 0.82085E+00 0.90412E+00 -0.37609E+00 + -0.12380E+01 -0.51555E+00 -0.37807E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.18620E+01 -0.21344E+01 -0.15728E+01 + 0.10054E+01 -0.28194E+00 -0.99804E+00 + -0.95418E-01 0.70556E+00 0.12484E+01 + 0.62687E+00 -0.12812E+01 -0.11048E+00 + 0.46863E+00 0.16084E+00 0.12303E+01 + 0.00000E+00 0.00000E+00 0.00000E+00