X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2Ffort.2;fp=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2Ffort.2;h=0000000000000000000000000000000000000000;hb=fe9e3a2f1191191edd529c64aba73f2b98723a47;hp=0d079b9726504f27cf676f9cd73b2ab2c8401aef;hpb=c89d7d207940ebb57e0042cb35ab65d0f8a4b55e;p=unres.git 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 0d079b9..0000000 --- a/examples/unres/new/MREMD/ff_1l2y/fort.2 +++ /dev/null @@ -1,104 +0,0 @@ - Start reading THETA_PDB - End reading THETA_PDB - acceleration/energy drift too large 3.43185235855872 - 16.2196086436649 split increased to 2 itime 613371 - itsplit 1 - acceleration/energy drift too large 3.66504533433393 - 16.2646124086846 split increased to 2 itime 754973 - itsplit 1 - acceleration/energy drift too large 7.98091478068989 - 41.0669583196819 split increased to 2 itime 850487 - itsplit 1 - acceleration/energy drift too large 11.9514259433991 - 262.197871675325 split increased to 2 itime 943100 - itsplit 1 - acceleration/energy drift too large 3.82431546162743 - 10.2319898340853 split increased to 2 itime 973009 - itsplit 1 - acceleration/energy drift too large 10.1245218337678 - 137.445161607889 split increased to 2 itime 979219 - itsplit 1 - acceleration/energy drift too large 2.14968786460024 - 25.7279519847659 split increased to 4 itime 979219 - itsplit 2 - acceleration/energy drift too large 8.31037047261400 - 22.8275131151792 split increased to 2 itime 959998 - itsplit 1 - acceleration/energy drift too large 3.53229258083193 - 19.4128791103592 split increased to 2 itime 992135 - itsplit 1 - acceleration/energy drift too large 2.88306927095639 - 21.2611731301506 split increased to 4 itime 859517 - itsplit 2 - acceleration/energy drift too large 2.92264537993241 - 10.2930575441355 split increased to 2 itime 937590 - itsplit 1 - acceleration/energy drift too large 3.75304623592573 - 22.3219390021736 split increased to 2 itime 757120 - itsplit 1 - acceleration/energy drift too large 4.59284388361391 - 22.2039424418907 split increased to 2 itime 823998 - itsplit 1 - acceleration/energy drift too large 3.10461678611688 - 12.1706051890230 split increased to 2 itime 846447 - itsplit 1 - acceleration/energy drift too large 4.41156084454137 - 22.1137014241566 split increased to 2 itime 937929 - itsplit 1 - acceleration/energy drift too large 3.50039486112450 - 15.7458458256481 split increased to 2 itime 944460 - itsplit 1 - acceleration/energy drift too large 3.30883759229596 - 10.6280068948011 split increased to 2 itime 933058 - itsplit 1 - acceleration/energy drift too large 3.20356169837237 - 11.0128739134781 split increased to 2 itime 964157 - itsplit 1 - acceleration/energy drift too large 4.08691541912856 - 11.3284357678194 split increased to 2 itime 966017 - itsplit 1 - acceleration/energy drift too large 5.05482930949698 - 35.9740035589400 split increased to 2 itime 992961 - itsplit 1 - acceleration/energy drift too large 4.34413796683001 - 27.2331580948769 split increased to 2 itime 937156 - itsplit 1 - acceleration/energy drift too large 9.03779826550718 - 45.6216772286557 split increased to 2 itime 977435 - itsplit 1 - acceleration/energy drift too large 3.72624499567532 - 26.2077680219199 split increased to 4 itime 959124 - itsplit 1 - acceleration/energy drift too large 6.99293382727552 - 30.6236565559636 split increased to 2 itime 982498 - itsplit 1 - acceleration/energy drift too large 2.02334623342474 - 10.6899899600383 split increased to 4 itime 982498 - itsplit 2 - acceleration/energy drift too large 4.27348446188953 - 23.8139989316928 split increased to 2 itime 856575 - itsplit 1 - acceleration/energy drift too large 5.06908147335636 - 14.3300662924125 split increased to 2 itime 949603 - itsplit 1 - acceleration/energy drift too large 13.0761251223644 - 102.769454457586 split increased to 2 itime 975182 - itsplit 1 - acceleration/energy drift too large 5.09641366178938 - 62.5190751148624 split increased to 4 itime 975182 - itsplit 1 - - 119.207570535317 split increased to 2 itime 945173 - itsplit 1 - acceleration/energy drift too large 5.16012279221592 - 20.0653589051293 split increased to 2 itime 959536 - itsplit 1 - acceleration/energy drift too large 5.90106950681416 - 25.3122291231396 split increased to 2 itime 959537 - itsplit 1 - acceleration/energy drift too large 1.99528407423275 - 10.4255266715436 split increased to 4 itime 959537 - itsplit 2 - acceleration/energy drift too large 2.81448185751381 - 12.0799811527520 split increased to 2 itime 997247 - itsplit 1