From 17fe8bb0430681eb9c37258ac68a19dc052bd104 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Sun, 15 Mar 2020 14:41:20 +0100 Subject: [PATCH] ctest csa --- source/unres/src_MD-M-SAXS-homology/CMakeLists.txt | 26 ++++++++++---------- 1 file changed, 13 insertions(+), 13 deletions(-) diff --git a/source/unres/src_MD-M-SAXS-homology/CMakeLists.txt b/source/unres/src_MD-M-SAXS-homology/CMakeLists.txt index f77cd93..3907d23 100644 --- a/source/unres/src_MD-M-SAXS-homology/CMakeLists.txt +++ b/source/unres/src_MD-M-SAXS-homology/CMakeLists.txt @@ -504,20 +504,20 @@ export PREFIX=$1 UNRES_BIN=${CMAKE_BINARY_DIR}/bin/${UNRES_BIN} #----------------------------------------------------------------------------- DD=${CMAKE_SOURCE_DIR}/PARAM -export BONDPAR=$DD/bond_AM1.parm -export THETPAR=$DD/theta_abinitio.parm -export ROTPAR=$DD/rotamers_AM1_aura.10022007.parm -export THETPARPDB=$DD/thetaml.5parm -export ROTPARPDB=$DD/scgauss.parm -export TORPAR=$DD/torsion_631Gdp.parm -export TORDPAR=$DD/torsion_double_631Gdp.parm -export ELEPAR=$DD/electr_631Gdp.parm -export SIDEPAR=$DD/scinter_$POT.parm -export FOURIER=$DD/fourier_opt.parm.1igd_hc_iter3_3 -#export SCCORPAR=$DD/rotcorr_AM1.parm -export SCCORPAR=$DD/sccor_am1_pawel.dat -export SCPPAR=$DD/scp.parm +export BONDPAR=$DD/bond_AM1_ext_dum.parm +export THETPAR=$DD/theta_abinitio_old_ext.parm +export THETPARPDB=$DD/thetaml_ext.5parm +export ROTPARPDB=$DD/scgauss_ext.parm +export ROTPAR=$DD/rotamers_AM1_aura_ext.10022007.parm +export TORPAR=$DD/torsion_631Gdp_old_ext.parm +export TORDPAR=$DD/torsion_double_631Gdp_old_ext.parm +export ELEPAR=$DD/electr_631Gdp_ext.parm +export SIDEPAR=$DD//scinter_GB_ext_lip.parm +export FOURIER=$DD/fourier_opt_ext.parm.1igd_hc_iter3_3 +export SCCORPAR=$DD/sccor_am1_pawel_ext.dat +export SCPPAR=$DD/scp_ext.parm export PATTERN=$DD/patterns.cart +export LIPTRANPAR=$DD/Lip_tran_initial_ext.parm export PRINT_PARM=NO #----------------------------------------------------------------------------- echo CTEST_FULL_OUTPUT -- 1.7.9.5