X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMD%2FLangevin%2Fff_gab%2F1L2Y_MD_004.rst;fp=examples%2Funres%2Fnew%2FMD%2FLangevin%2Fff_gab%2F1L2Y_MD_004.rst;h=0000000000000000000000000000000000000000;hp=9bf194969c560b112bac58b741e5da582aff6afb;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_004.rst b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_004.rst deleted file mode 100644 index 9bf1949..0000000 --- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_004.rst +++ /dev/null @@ -1,90 +0,0 @@ - 200000.000002666 26.8232500134393 -36.4184227547441 - -9.59517274130486 300.000000000000 - 0.00000E+00 0.00000E+00 0.00000E+00 - 0.69365E-01 0.10989E+00 0.22123E+00 - -0.50830E-02 0.23054E-01 -0.34935E+00 - 0.82967E-01 0.36568E-01 0.17940E+00 - 0.38804E-01 -0.17780E+00 0.14836E+00 - -0.16270E+00 0.21656E+00 -0.16430E+00 - 0.11558E-01 0.11141E-01 -0.15606E+00 - 0.18871E+00 -0.18995E+00 0.11260E+00 - -0.21989E+00 0.28411E+00 -0.10949E-01 - -0.16606E+00 -0.50572E+00 0.20460E+00 - 0.20344E+00 0.26276E+00 -0.19420E+00 - 0.17413E+00 0.16814E+00 -0.11801E+00 - -0.17724E+00 -0.14432E+00 0.19856E+00 - -0.38600E-01 -0.11980E+00 0.27367E-02 - -0.32323E-02 0.13042E+00 0.21470E+00 - 0.41336E-01 0.20217E+00 -0.34282E+00 - 0.71277E-01 -0.18324E+00 0.27430E+00 - 0.16993E+00 -0.10240E-01 -0.29019E+00 - -0.16634E+00 0.78003E-01 0.19715E-01 - -0.61900E-01 -0.32707E-01 0.19348E+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 - 0.17571E+00 0.28304E-01 -0.63542E-01 - 0.61736E-01 -0.21521E-01 -0.53356E-01 - 0.45901E-01 -0.64664E-01 0.25358E+00 - -0.89981E-01 -0.88004E-01 -0.47987E-01 - -0.11167E+00 0.78593E-01 -0.14790E-01 - 0.15928E+00 -0.11818E+00 -0.55723E-01 - 0.75487E-01 -0.57013E-01 0.17530E+00 - -0.17326E+00 0.62416E-02 0.25228E-01 - 0.49946E-01 -0.17956E+00 0.10245E+00 - 0.00000E+00 0.00000E+00 0.00000E+00 - 0.00000E+00 0.00000E+00 0.00000E+00 - -0.53337E-01 -0.16324E+00 0.10489E+00 - -0.24104E-01 0.75687E-01 0.10850E+00 - -0.27281E-01 0.54782E-01 -0.10500E-01 - 0.00000E+00 0.00000E+00 0.00000E+00 - 0.17314E-01 -0.91452E-01 0.83006E-01 - -0.18213E-01 0.97105E-02 -0.12504E+00 - -0.18493E+00 -0.10658E+00 0.78937E-01 - -0.92203E-01 0.50240E-02 0.97581E-01 - -0.21955E-01 0.63690E-01 -0.86176E-01 - 0.00000E+00 0.00000E+00 0.00000E+00 - 0.38000E+01 0.00000E+00 0.00000E+00 - 0.30118E+00 -0.86601E+00 -0.36423E+01 - -0.31983E+01 -0.66483E+00 -0.18600E+01 - 0.18064E+01 -0.17493E+01 -0.29039E+01 - 0.21118E+00 -0.33649E+01 0.16715E+01 - -0.37438E+01 -0.82056E-01 0.29626E+00 - -0.41348E+00 0.40303E+00 -0.37559E+01 - 0.23268E+01 -0.27848E+01 -0.82756E+00 - -0.18928E+01 -0.24222E+01 0.21948E+01 - -0.33378E+01 -0.80951E-01 -0.16795E+01 - -0.16363E+01 0.27157E+01 0.21272E+01 - -0.22404E+01 0.27577E+01 -0.13983E+01 - 0.22947E+01 0.15234E+01 -0.25650E+01 - -0.16172E+01 0.29731E+01 -0.18023E+01 - 0.21356E+01 0.27010E+01 -0.17063E+01 - 0.10114E+01 0.19725E+01 0.31295E+01 - 0.14873E+01 -0.22717E+01 0.26480E+01 - -0.18470E+01 -0.13380E+01 0.30544E+01 - 0.41760E+00 0.18557E+01 0.33572E+01 - 0.36946E+00 -0.34397E+01 0.16666E+01 - 0.38000E+01 -0.25738E-29 -0.46537E-14 - 0.00000E+00 0.00000E+00 0.00000E+00 - 0.00000E+00 0.00000E+00 0.00000E+00 - 0.14710E+01 -0.69747E+00 0.38555E+00 - 0.14717E+01 0.12058E+01 -0.32483E+00 - -0.14042E+01 0.19704E+01 -0.45961E+00 - 0.17691E+01 0.25689E+00 -0.39459E-01 - 0.48377E+00 -0.14024E+01 0.16816E+01 - -0.22845E+01 -0.29511E+00 0.12159E+01 - -0.43380E+00 0.18182E+01 -0.38406E+00 - 0.21529E+01 0.13634E+01 -0.28703E+00 - -0.23596E+00 -0.80559E+00 0.15668E+01 - 0.00000E+00 0.00000E+00 0.00000E+00 - 0.00000E+00 0.00000E+00 0.00000E+00 - 0.37779E+00 0.84790E+00 0.99750E+00 - 0.31677E+00 0.37209E+00 -0.10266E+01 - -0.20698E+00 0.10065E+01 0.53655E+00 - 0.00000E+00 0.00000E+00 0.00000E+00 - -0.29277E+01 0.44280E+00 0.28450E+00 - 0.10087E+01 0.94524E+00 -0.27139E-01 - 0.48679E+00 -0.11908E+01 -0.20898E+00 - -0.12983E+01 0.28795E-01 0.18815E+00 - -0.14927E+00 -0.96307E+00 -0.61743E+00 - 0.00000E+00 0.00000E+00 0.00000E+00