Good Night Everyone
I am trying to run re tutorial with spce, but an error appear about
nknots_cutoff property, I update my dev version without sucess, any
suggestion ?
Wishing a very good weekend and thanking in advance .
Marc
Dr. Marc Segovia
CCBG
Facultad de Quimica
Universidad de la Republica
11800 Montevideo
Uruguay
~/votca1.3/csg-tutorials.votca-695b567ead5c/spce/re/step_000
Generating potential tables from the initial parameters
Running critical command 'csg_reupdate --gentable true --param-in-ext
param.new --options
/home/marc/votca1.3/csg-tutorials.votca-695b567ead5c/spce/re/settings.xml'
an error occurred:
property not found: nknots_cutoff
Callstack:
/home/marc/votca1.3/share/votca/scripts/inverse/inverse.sh - linenumber 166
do_external - linenumber 171 in
/home/marc/votca1.3/share/votca/scripts/inverse/functions_common.sh
/home/marc/votca1.3/share/votca/scripts/inverse/prepare_re.sh -
linenumber 36
critical - linenumber 4 (see 'csg_call --cat function critical')
die - linenumber 2 (see 'csg_call --cat function die')
################################################################################################################################################################
#
#
#
ERROR:
#
# critical: 'csg_reupdate --gentable true --param-in-ext param.new
--options
/home/marc/votca1.3/csg-tutorials.votca-695b567ead5c/spce/re/settings.xml'
failed #
# For details see the logfile
/home/marc/votca1.3/csg-tutorials.votca-695b567ead5c/spce/re/inverse.log
#
#
#
################################################################################################################################################################
die: (called from 318) CSG_MASTER_PID is 31799
die: pids to kill: 31799 318
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