X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Fstart.mat;fp=examples%2Funres%2FCSA%2F4P%2Fstart.mat;h=bb5b966f5d725ce53b18e48b55372da75521a8b1;hp=1b3d4bd89ec0d5747a0bd1ceb5675fd4a9d00198;hb=146d1178adc71d967a52adc479882027921b4221;hpb=eaf9ca9f0a81ea1952cfd9db5435374f931fa8ef diff --git a/examples/unres/CSA/4P/start.mat b/examples/unres/CSA/4P/start.mat index 1b3d4bd..bb5b966 100755 --- a/examples/unres/CSA/4P/start.mat +++ b/examples/unres/CSA/4P/start.mat @@ -23,7 +23,7 @@ setenv ROTPAR $DD/scgauss.parm setenv TORPAR $DD/torsion_631Gdp.parm setenv TORDPAR $DD/torsion_double_631Gdp.parm setenv ELEPAR $DD/electr_631Gdp.parm -setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k +setenv SIDEPAR $DD/sc_GB_opt.4P5_iter33_3r setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 setenv SCCORPAR $DD/rotcorr_AM1.parm setenv SCPPAR $DD/scp.parm