X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fhomology_mult%2FTs866_checkgrad_full.inp;h=9915e98d38b698a70989b406f39e66d812f200fb;hb=29074170e4fc9313d676607c81a1abd3a699e2d3;hp=59ba4b153901023c0d3ed3835368565cb9911b87;hpb=18aba39863f13f07eab2382074bb1413d68f1888;p=unres.git

diff --git a/ctest/homology_mult/Ts866_checkgrad_full.inp b/ctest/homology_mult/Ts866_checkgrad_full.inp
index 59ba4b1..9915e98 100644
--- a/ctest/homology_mult/Ts866_checkgrad_full.inp
+++ b/ctest/homology_mult/Ts866_checkgrad_full.inp
@@ -1,6 +1,6 @@
 Ts866 HREMD simulation
 SEED=-3059743 checkgrad cart rescale_mode=2 one_letter PDBSTART timlim=4200.0  &
-CONSTR_HOMOL=13 PDBREF REFSTR
+CONSTR_HOMOL=13 PDBREF REFSTR delta=1.0e-4
 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
 WSCLOC=0.10554 WTOR=1.34316 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    &