X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2Ffort.2;fp=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2Ffort.2;h=0000000000000000000000000000000000000000;hp=c6b6e0a0bb357b26c8943af41b517ec762db6fe0;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/MREMD/ff_1l2y/fort.2 b/examples/unres/new/MREMD/ff_1l2y/fort.2 deleted file mode 100644 index c6b6e0a..0000000 --- a/examples/unres/new/MREMD/ff_1l2y/fort.2 +++ /dev/null @@ -1,113 +0,0 @@ - Start reading THETA_PDB - End reading THETA_PDB - acceleration/energy drift too large 8.75469407693134 - 100.947155014428 split increased to 2 itime 970413 - itsplit 1 - acceleration/energy drift too large 11.9813494885241 - 151.023155270513 split increased to 2 itime 974224 - itsplit 1 - acceleration/energy drift too large 6.34134188119507 - 33.8591387762422 split increased to 2 itime 849330 - itsplit 1 - acceleration/energy drift too large 10.4386757972384 - 197.930632539386 split increased to 2 itime 998141 - itsplit 1 - acceleration/energy drift too large 3.29672929989142 - 75.2614666762338 split increased to 4 itime 998141 - itsplit 2 - acceleration/energy drift too large 2.36653778137160 - 144.675440167035 split increased to 8 itime 998141 - itsplit 4 - acceleration/energy drift too large 1.12808537973992 - 126.840116141663 split increased to 16 itime 998141 - itsplit 7 - acceleration/energy drift too large 0.643283558309138 - 165.191761588105 split increased to 32 itime 998141 - itsplit 13 - acceleration/energy drift too large 10.3943279509865 - 60.3414655409778 split increased to 2 itime 951163 - itsplit 1 - acceleration/energy drift too large 3.26318326765345 - 22.1400423103924 split increased to 4 itime 951163 - itsplit 2 - acceleration/energy drift too large 4.46702446482154 - 12.9174595938524 split increased to 2 itime 841267 - itsplit 1 - acceleration/energy drift too large 8.71015825849746 - 45.9740270072640 split increased to 2 itime 853135 - itsplit 1 - acceleration/energy drift too large 5.22578093845543 - 36.3963033292437 split increased to 2 itime 935778 - itsplit 1 - acceleration/energy drift too large 17.2977275225635 - 300.448750398714 split increased to 2 itime 968761 - itsplit 1 - acceleration/energy drift too large 6.92954827779004 - 99.2081768941197 split increased to 2 itime 930381 - itsplit 1 - acceleration/energy drift too large 21.9400879393517 - 300.553629084162 split increased to 2 itime 944336 - itsplit 1 - acceleration/energy drift too large 2.85510125955739 - 11.3635262600859 split increased to 2 itime 977572 - itsplit 1 - acceleration/energy drift too large 3.51417377277529 - 10.8713790550659 split increased to 2 itime 977573 - itsplit 1 - acceleration/energy drift too large 5.10982782323423 - 16.9370203541357 split increased to 2 itime 911018 - itsplit 1 - acceleration/energy drift too large 17.8509240365023 - 200.471178398803 split increased to 2 itime 925235 - itsplit 1 - acceleration/energy drift too large 8.91893850848231 - 51.5063648092223 split increased to 2 itime 961803 - itsplit 1 - acceleration/energy drift too large 4.78009519824987 - 14.7585639383405 split increased to 2 itime 993826 - itsplit 1 - acceleration/energy drift too large 4.69783633685660 - 19.9091272165687 split increased to 2 itime 987661 - itsplit 1 - acceleration/energy drift too large 4.07146496621216 - 10.8616089705807 split increased to 2 itime 982655 - itsplit 1 - acceleration/energy drift too large 3.49986118817264 - 24.2524197529414 split increased to 2 itime 976295 - itsplit 1 - acceleration/energy drift too large 9.62427395120321 - 602.413168794923 split increased to 4 itime 976295 - itsplit 1 - acceleration/energy drift too large 1.20185405427270 - 37.6142270255815 split increased to 8 itime 976295 - itsplit 1 - acceleration/energy drift too large 3.66139523296962 - 18.8311473470532 split increased to 2 itime 981840 - itsplit 1 - acceleration/energy drift too large 5.63185918335395 - 157.601376597025 split increased to 4 itime 688199 - itsplit 1 - acceleration/energy drift too large 1.19767870166086 - 30.2336531567217 split increased to 8 itime 688199 - itsplit 1 - acceleration/energy drift too large 7.13125651258700 - 17.4197684174688 split increased to 2 itime 708828 - itsplit 1 - acceleration/energy drift too large 6.67624630468350 - 60.0565026510500 split increased to 2 itime 818987 - itsplit 1 - acceleration/energy drift too large 2.07847064010115 - 21.6817010181585 split increased to 4 itime 818987 - itsplit 2 - acceleration/energy drift too large 4.61985170896771 - 11.7915987073102 split increased to 2 itime 835065 - itsplit 1 - acceleration/energy drift too large 7.26178113403994 - 33.7065992004155 split increased to 2 itime 934007 - itsplit 1 - acceleration/energy drift too large 4.97149663568859 - 26.0825181221898 split increased to 2 itime 973247 - itsplit 1 - acceleration/energy drift too large 7.32517334595591 - 29.3609714595789 split increased to 2 itime 986402 - itsplit 1