X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2FE0LL2Y%2F1l2y_csa.inp;fp=examples%2Funres%2FCSA%2FE0LL2Y%2F1l2y_csa.inp;h=0000000000000000000000000000000000000000;hb=6c23f8d4f1fe8f0479fb8c6b16ff17e6c59c03d2;hp=0a1eae30b462faf2a02bdacb1d782cad9e132c4a;hpb=c6cc12f77df252d56c9480ce4822c58fc8981c32;p=unres.git diff --git a/examples/unres/CSA/E0LL2Y/1l2y_csa.inp b/examples/unres/CSA/E0LL2Y/1l2y_csa.inp deleted file mode 100644 index 0a1eae3..0000000 --- a/examples/unres/CSA/E0LL2Y/1l2y_csa.inp +++ /dev/null @@ -1,17 +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=4.0 IZ_SC=1 PNCCUT=0.6 & -IMAX=1 IUCUT=2 NBANKM=200 -WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954 & -WSCLOC=0.10554 WTOR=1.84316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 & -WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000 & -WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.0 & -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 -0