Dear All,
I was running the ibi tutorial with lammps for spce water model. I
got following error in the inverse.log file for step001. However lammps
simulation done in folder "step-001"
Topology does not have beads of type "Bead1"
This was specified in type1 of interaction "CG-CG"
Callstack:
/usr/local/share/votca/scripts/inverse/inverse.sh - linenumber 266
do_external - linenumber 176 in
/usr/local/share/votca/scripts/inverse/functions_common.sh
/usr/local/share/votca/scripts/inverse/update_ibi.sh - linenumber 31
for_all - linenumber 22 (see 'csg_call --cat function for_all')
do_external - linenumber 19 (see 'csg_call --cat
function do_external')
/usr/local/share/votca/scripts/inverse/calc_rdf_generic.sh - linenumber 84
critical - linenumber 4 (see 'csg_call --cat
function critical')
die - linenumber 2 (see 'csg_call --cat
function die')
#############################################################################################################################################################################
#########
#
#
#
ERROR:
#
# critical: 'csg_stat --nt 20 --options
/home/ws7/Downloads/share/votca/csg-tutorials/spce/ibi_lammps/settings.xml
--top spce.data --trj traj.dump --begin 0 --first-frame 0'
failed #
# For details see the logfile
/home/ws7/Downloads/share/votca/csg-tutorials/spce/ibi_lammps/inverse.log
#
#
#
#############################################################################################################################################################################
#########
die: (called from 19206) CSG_MASTER_PID is 16324
Any thought on this.
Thanks,
Sandip
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