X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2FCSA%2Fglobal%2Frestrained%2F1l2y_csa.inp;fp=examples%2Funres%2FCSA%2FGAB%2FCSA%2Fglobal%2Frestrained%2F1l2y_csa.inp;h=0000000000000000000000000000000000000000;hp=e8b3fbd9ed072d7b1d7f1979e4d9ef98f7767465;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.inp b/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.inp deleted file mode 100644 index e8b3fbd..0000000 --- a/examples/unres/CSA/GAB/CSA/global/restrained/1l2y_csa.inp +++ /dev/null @@ -1,40 +0,0 @@ -1l2y -SEED=-3059743 CSA MINIMIZE RESCALE_MODE=0 OVERLAP NOSEARCHSC -MAXMIN=3000 MAXFUN=1000 -NCONF=200 NSTMAX=300000 N1=5 N2=5 N6=10 N3=0 N4=0 N8=0 IS1=1 IS2=25 NSEED=20 & -NTOTAL=10000 CUT1=2.0 CUT2=5.0 ESTOP=-900000.0 IRESTART=0 NCONF_IN=0 & -DELE=30.0 DIFCUT=720.0 IREF=0 RMSCUT=3.5 IZ_SC=1 PNCCUT=0.6 & -ICMAX=1 IUCUT=2 NBANKM=200 -WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873 & -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 WSCCOR=0.00000 & -CUTOFF=7.00000 WCORR4=0.00000 -22 - D ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO - SER D -0 -22 -0.000 - 1 0.000 180.000 - 2 0.000 180.000 - 3 0.000 180.000 - 4 0.000 180.000 - 5 0.000 180.000 - 6 0.000 180.000 - 7 45.000 5.000 - 8 45.000 5.000 - 9 45.000 5.000 - 10 45.000 5.000 - 11 45.000 5.000 - 12 45.000 5.000 - 13 0.000 180.000 - 14 0.000 180.000 - 15 0.000 180.000 - 16 0.000 180.000 - 17 0.000 180.000 - 18 0.000 180.000 - 19 0.000 180.000 - 20 0.000 180.000 - 21 0.000 180.000 - 22 0.000 180.000