X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMD%2Fmicrocanonical%2FVTS%2Fff_gab%2F1L2Y_micro.inp;h=bb2d04bc7f24630e6ca4c3724f642fb1c4c03f89;hb=6167581cc7c0c42fe1515b9ecf7e19cc8466b727;hp=5ab509957205400d39cc50517212998b1368bef8;hpb=3d715fcd9a4c5ccea28a8e33a8e150be82aa0cec;p=unres.git diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/1L2Y_micro.inp b/examples/unres/MD/microcanonical/VTS/ff_gab/1L2Y_micro.inp index 5ab5099..bb2d04b 100644 --- a/examples/unres/MD/microcanonical/VTS/ff_gab/1L2Y_micro.inp +++ b/examples/unres/MD/microcanonical/VTS/ff_gab/1L2Y_micro.inp @@ -7,7 +7,7 @@ WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 & WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 & WVDWPP=0.11371 WHPB=1.00000 & CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0 -../../../1L2Y.pdb +../../../../1L2Y.pdb 22 D ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO SER D