X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2FREMD%2FLangevin%2Fff_1l2y%2Ffort.2;fp=examples%2Funres%2Fnew%2FREMD%2FLangevin%2Fff_1l2y%2Ffort.2;h=0000000000000000000000000000000000000000;hp=acf2ff5c77cabe8f52729646954d813d5dfb1681;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/REMD/Langevin/ff_1l2y/fort.2 b/examples/unres/new/REMD/Langevin/ff_1l2y/fort.2 deleted file mode 100644 index acf2ff5..0000000 --- a/examples/unres/new/REMD/Langevin/ff_1l2y/fort.2 +++ /dev/null @@ -1,62 +0,0 @@ - Start reading THETA_PDB - End reading THETA_PDB - acceleration/energy drift too large 2271105.05487909 - 8486099544992.98 split increased to 2 itime 390979 - itsplit 1 - acceleration/energy drift too large 4.40659424106946 - 13.0654856671480 split increased to 2 itime 987322 - itsplit 1 - acceleration/energy drift too large 9.83787592146611 - 126.672705605951 split increased to 2 itime 963652 - itsplit 1 - acceleration/energy drift too large 3.59351615558140 - 16.7492075630781 split increased to 2 itime 718868 - itsplit 1 - acceleration/energy drift too large 13.1422754398498 - 116.029582274567 split increased to 2 itime 758704 - itsplit 1 - acceleration/energy drift too large 3.41747475833185 - 13.4339669368362 split increased to 2 itime 838551 - itsplit 1 - acceleration/energy drift too large 3.71742133081590 - 10.6994920169804 split increased to 2 itime 901586 - itsplit 1 - acceleration/energy drift too large 5.85586638546090 - 32.0267335060996 split increased to 2 itime 952591 - itsplit 1 - acceleration/energy drift too large 4.35176193394494 - 17.8601965405730 split increased to 2 itime 423749 - itsplit 1 - acceleration/energy drift too large 6.35063367866793 - 23.3002154732349 split increased to 2 itime 440141 - itsplit 1 - acceleration/energy drift too large 3.04249904414962 - 14.8372516883679 split increased to 2 itime 872309 - itsplit 1 - acceleration/energy drift too large 13.9985202763454 - 180.256222535901 split increased to 2 itime 933361 - itsplit 1 - acceleration/energy drift too large 4.70850050204889 - 81.9786848387011 split increased to 4 itime 933361 - itsplit 2 - acceleration/energy drift too large 8.53248617887914 - 294.920487885814 split increased to 4 itime 933362 - itsplit 1 - acceleration/energy drift too large 0.866062211160740 - 12.4796006298037 split increased to 8 itime 933362 - itsplit 1 - acceleration/energy drift too large 0.319834786688390 - 28.9886287270650 split increased to 32 itime 522451 - itsplit 14 - acceleration/energy drift too large 6.52407659162635 - 10.9486166580287 split increased to 2 itime 601734 - itsplit 1 - acceleration/energy drift too large 7.46008497587622 - 17.4798062964939 split increased to 2 itime 637606 - itsplit 1 - acceleration/energy drift too large 6.58681003627660 - 35.8884424993307 split increased to 2 itime 821789 - itsplit 1 - acceleration/energy drift too large 3.98112262830457 - 53.6973759462634 split increased to 4 itime 821789 - itsplit 1