X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_MD_000.rst;fp=examples%2Funres%2Fnew%2FMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_MD_000.rst;h=0000000000000000000000000000000000000000;hp=ba05e628809d68e55293b25ce910fb2e0ff037a9;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_000.rst b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_000.rst deleted file mode 100644 index ba05e62..0000000 --- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_000.rst +++ /dev/null @@ -1,90 +0,0 @@ - 200000.000002666 28.1537037088690 -38.7972811255083 - -10.6435774166393 300.000000000000 - 0.00000E+00 0.00000E+00 0.00000E+00 - 0.17767E+00 0.80303E-01 -0.22543E+00 - -0.32152E+00 -0.20187E+00 -0.12322E+00 - 0.90466E-01 0.80386E-01 0.26076E+00 - 0.13617E+00 -0.13795E-01 -0.16343E+00 - -0.11662E+00 0.17331E+00 0.11164E-01 - 0.89743E-01 -0.11062E+00 0.15144E+00 - -0.56062E-01 0.12956E-01 -0.77015E-01 - 0.12222E+00 0.17326E+00 0.85155E-01 - -0.26644E+00 -0.28461E+00 -0.10047E+00 - 0.82038E-01 0.20076E+00 0.46277E-01 - 0.67784E-01 -0.65904E-01 -0.20654E-01 - -0.19178E+00 0.52946E-01 0.65272E-02 - 0.17684E+00 0.84287E-01 0.12850E+00 - -0.24639E-01 -0.12763E+00 -0.20256E+00 - 0.14874E+00 -0.14263E+00 0.89025E-01 - -0.22481E+00 0.84421E-01 -0.12931E+00 - 0.17940E+00 0.13716E+00 0.76241E-01 - -0.16288E+00 -0.51173E-01 0.94605E-01 - -0.24721E-01 0.13966E+00 -0.87312E-02 - 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 - -0.60939E-01 0.67705E-01 -0.74527E-01 - -0.16196E+00 0.57206E-01 0.14081E-01 - 0.26996E+00 -0.76772E-02 0.12749E+00 - 0.74154E-01 0.39081E-01 -0.36596E-01 - -0.18122E-02 0.10721E+00 0.73829E-01 - 0.57255E-01 -0.91295E-01 0.11063E+00 - -0.93187E-01 0.16638E+00 -0.34877E-01 - -0.75563E-01 0.16113E+00 0.15934E+00 - -0.26999E+00 0.10483E-01 -0.91572E-01 - 0.00000E+00 0.00000E+00 0.00000E+00 - 0.00000E+00 0.00000E+00 0.00000E+00 - 0.66245E-03 -0.80003E-01 0.56390E-01 - 0.16589E+00 0.34464E-01 0.83537E-02 - 0.13082E+00 -0.88315E-01 0.58226E-01 - 0.00000E+00 0.00000E+00 0.00000E+00 - -0.10860E+00 0.11253E-01 0.13371E-02 - 0.15161E-01 0.58164E-01 0.12006E+00 - -0.11174E+00 -0.11020E+00 0.16348E+00 - 0.18938E+00 0.89219E-01 -0.70268E-01 - 0.44720E-01 -0.36210E+00 -0.66883E-01 - 0.00000E+00 0.00000E+00 0.00000E+00 - 0.38605E+01 0.00000E+00 0.00000E+00 - 0.21401E+01 0.29055E+01 -0.11140E+01 - -0.46800E+00 0.12834E+00 -0.38030E+01 - -0.31413E+01 0.21795E+01 0.52760E+00 - 0.17840E+01 0.17276E+01 0.29373E+01 - 0.30115E+01 0.77315E+00 -0.21146E+01 - -0.21674E+01 0.76051E+00 -0.29890E+01 - -0.19081E+01 0.24901E+01 0.20623E+01 - 0.31464E+01 0.16695E+01 0.10336E+01 - 0.67733E+00 0.23856E+01 -0.28370E+01 - 0.34526E+01 -0.13090E+01 -0.10014E+01 - 0.12875E+01 -0.34451E+01 -0.87064E+00 - -0.13857E+01 -0.34670E+01 0.12691E-01 - 0.19350E+01 -0.28953E+01 -0.17321E+01 - -0.19443E+01 -0.29608E+01 0.13654E+01 - 0.12587E+01 0.22421E+00 0.35873E+01 - 0.13782E+00 0.28990E+01 0.24779E+01 - 0.30239E+01 0.23446E+01 -0.26535E+00 - 0.10329E+01 0.24609E+01 0.27230E+01 - 0.21299E+01 0.21116E+01 -0.23639E+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 - 0.11137E+01 -0.11474E+01 0.29894E+00 - 0.14045E+01 0.13205E+01 0.35596E+00 - 0.23212E+01 0.82415E+00 -0.40569E+00 - -0.16511E+01 -0.37333E+00 -0.36827E+00 - -0.67867E+00 -0.11792E+01 0.17841E+01 - 0.24770E+01 0.65866E+00 0.72657E+00 - -0.71495E+00 -0.11153E+01 -0.14371E+01 - -0.22544E+01 -0.12500E+01 0.28985E+00 - -0.11666E+00 -0.94101E+00 0.14222E+01 - 0.00000E+00 0.00000E+00 0.00000E+00 - 0.00000E+00 0.00000E+00 0.00000E+00 - 0.97159E+00 0.43234E+00 0.81661E+00 - -0.76629E+00 0.49806E+00 0.68296E+00 - 0.69883E+00 0.69532E+00 0.64140E+00 - 0.00000E+00 0.00000E+00 0.00000E+00 - 0.28591E+01 0.97967E+00 -0.33883E+00 - -0.72308E-01 -0.97319E+00 0.91451E+00 - -0.46547E+00 0.18207E+00 -0.12528E+01 - 0.98813E+00 -0.44445E+00 0.80524E+00 - 0.10519E+01 -0.36955E+00 0.19747E+00 - 0.00000E+00 0.00000E+00 0.00000E+00