X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2FREMD%2FBerendsen%2Fff_1l2y%2Ffort.2;fp=examples%2Funres%2Fnew%2FREMD%2FBerendsen%2Fff_1l2y%2Ffort.2;h=0000000000000000000000000000000000000000;hp=d6eb473e12c790996884489dbc52b3226cdc4cad;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/REMD/Berendsen/ff_1l2y/fort.2 b/examples/unres/new/REMD/Berendsen/ff_1l2y/fort.2 deleted file mode 100644 index d6eb473..0000000 --- a/examples/unres/new/REMD/Berendsen/ff_1l2y/fort.2 +++ /dev/null @@ -1,107 +0,0 @@ - Start reading THETA_PDB - End reading THETA_PDB - acceleration/energy drift too large 3.89192120024235 - 14.2904482808465 split increased to 2 itime 854625 - itsplit 1 - acceleration/energy drift too large 6852425.95325829 - 77233227168537.3 split increased to 2 itime 971941 - itsplit 1 - acceleration/energy drift too large 28.4654367707071 - 514.572581093606 split increased to 2 itime 633530 - itsplit 1 - acceleration/energy drift too large 4.55871456904412 - 49.1177789702876 split increased to 4 itime 633530 - itsplit 2 - acceleration/energy drift too large 1.55417296720979 - 22.9158358703738 split increased to 8 itime 633530 - itsplit 4 - acceleration/energy drift too large 3.59883365407203 - 10.2000534791969 split increased to 2 itime 651379 - itsplit 1 - acceleration/energy drift too large 2.69770716535807 - 12.0173889339615 split increased to 2 itime 694532 - itsplit 1 - acceleration/energy drift too large 39.3846204808527 - 446.228464838396 split increased to 2 itime 764424 - itsplit 1 - acceleration/energy drift too large 18.7394782800628 - 221.275900336282 split increased to 2 itime 866179 - itsplit 1 - acceleration/energy drift too large 5.46009875427643 - 71.1763629561686 split increased to 4 itime 866179 - itsplit 2 - acceleration/energy drift too large 5.83758142901601 - 18.7570057195632 split increased to 2 itime 892652 - itsplit 1 - acceleration/energy drift too large 3.09431993835116 - 11.7598479488048 split increased to 2 itime 912915 - itsplit 1 - acceleration/energy drift too large 4.41675085064631 - 11.1894884524705 split increased to 2 itime 975320 - itsplit 1 - acceleration/energy drift too large 3.07764809476539 - 12.4004434911377 split increased to 2 itime 945230 - itsplit 1 - acceleration/energy drift too large 4.05792986800913 - 11.2848551447222 split increased to 2 itime 990606 - itsplit 1 - acceleration/energy drift too large 6.40805600107911 - 28.3314889319529 split increased to 2 itime 946639 - itsplit 1 - acceleration/energy drift too large 2.18091603871295 - 12.8436439322193 split increased to 4 itime 946639 - itsplit 2 - acceleration/energy drift too large 5.08187277557952 - 17.7485150630721 split increased to 2 itime 756904 - itsplit 1 - acceleration/energy drift too large 12.0280681185532 - 88.2027894720310 split increased to 2 itime 841944 - itsplit 1 - acceleration/energy drift too large 3.16609398309634 - 25.0272004044524 split increased to 4 itime 841944 - itsplit 2 - acceleration/energy drift too large 3.50532492412192 - 19.9306294620689 split increased to 2 itime 856782 - itsplit 1 - acceleration/energy drift too large 1.40208916544824 - 11.6633749567146 split increased to 4 itime 856782 - itsplit 2 - acceleration/energy drift too large 10.6303385101661 - 65.4207933003555 split increased to 2 itime 879307 - itsplit 1 - acceleration/energy drift too large 2.15233654381790 - 10.4227628369772 split increased to 4 itime 879307 - itsplit 2 - acceleration/energy drift too large 4.24583956850584 - 11.5115876950374 split increased to 2 itime 937341 - itsplit 1 - acceleration/energy drift too large 3.52997188039368 - 15.6323869591640 split increased to 2 itime 965180 - itsplit 1 - acceleration/energy drift too large 4.11441125846978 - 11.0856492874418 split increased to 2 itime 765219 - itsplit 1 - acceleration/energy drift too large 3.95201920143319 - 26.8881556863581 split increased to 2 itime 811854 - itsplit 1 - acceleration/energy drift too large 1.75310381761258 - 23.5399668101155 split increased to 4 itime 811854 - itsplit 1 - acceleration/energy drift too large 6.59689120115111 - 18.4449582572689 split increased to 2 itime 870512 - itsplit 1 - acceleration/energy drift too large 15.4672472806747 - 160.929919062918 split increased to 2 itime 884130 - itsplit 1 - acceleration/energy drift too large 9.71537563103355 - 50.4775603782926 split increased to 2 itime 894989 - itsplit 1 - acceleration/energy drift too large 8.27460370511524 - 44.7234299848978 split increased to 2 itime 981226 - itsplit 1 - acceleration/energy drift too large 5.27434112800032 - 71.1965635243485 split increased to 4 itime 981226 - itsplit 1 - acceleration/energy drift too large 1.80192804656535 - 30.4539420527145 split increased to 8 itime 981226 - itsplit 3