X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Flocal%2F1l2y_csa.inp;fp=examples%2Funres%2FCSA%2FGAB%2Flocal%2F1l2y_csa.inp;h=f9fe11f76a76a1388dae8b1d62a0ec591a229b7e;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/local/1l2y_csa.inp b/examples/unres/CSA/GAB/local/1l2y_csa.inp new file mode 100644 index 0000000..f9fe11f --- /dev/null +++ b/examples/unres/CSA/GAB/local/1l2y_csa.inp @@ -0,0 +1,18 @@ +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=1 RMSCUT=3.5 IZ_SC=1 PNCCUT=0.0 & +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 & +WDFAD=0.0 WDFAT=0.0 WDFAN=0.0 WDFAB=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