X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2F1l2y_csa.inp;fp=examples%2Funres%2FCSA%2F4P%2F1l2y_csa.inp;h=5c6fc33dd1a972dd33f5def15a52be07f39accce;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/1l2y_csa.inp b/examples/unres/CSA/4P/1l2y_csa.inp new file mode 100644 index 0000000..5c6fc33 --- /dev/null +++ b/examples/unres/CSA/4P/1l2y_csa.inp @@ -0,0 +1,17 @@ +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 & +ICMAX=1 IUCUT=2 NBANKM=200 +WLONG=1.00000 WSCP=2.73684 WELEC=0.06833 WANG=4.15526 WSCLOC=0.16761 & +WTOR=2.99546 WTORD=2.89720 WCORRH=1.98989 WCORR5=0.00000 WCORR6=0.00000 & +WEL_LOC=1.60072 WTURN3=2.36351 WTURN4=1.34051 WTURN6=0.00000 & +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