From f5d0cea4ac80def8fd5df2e4fac037052cdf4082 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Mon, 27 Feb 2017 09:12:35 +0100 Subject: [PATCH] ctest minim cart test not working for prota.pdb using prota_unres.pdb --- ctest/prota_MIN_CART.inp | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/ctest/prota_MIN_CART.inp b/ctest/prota_MIN_CART.inp index 7d1f3a0..14717b1 100644 --- a/ctest/prota_MIN_CART.inp +++ b/ctest/prota_MIN_CART.inp @@ -1,12 +1,12 @@ -Test minimize cart - 1bdd - pdbstart +Test minimize cart - 1bdd_unres - pdbstart unres_pdb SEED=-3059743 minimize pdbstart pdbref refstr rescale_mode=2 cart overlap & -nosearchsc +nosearchsc unres_pdb print_min_ini print_min_res print_min_stat MAXMIN=10000 MAXFUN=15000 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 & WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25 & CUTOFF=7.00000 WCORR4=0.00000 -prota.pdb +prota_unres.pdb 0 0 -- 1.7.9.5