It seems really weird, but this tag is somehow ignored by the csg_inverse
script:
<inverse>
<!-- 260*0.0019872041 lammps units -->
<kBT>0.516673</kBT>
<!-- use lammps as simulation program -->
<program>lammps</program>
<!-- lammps specific options -->
<lammps>
<!-- lammps script to run !-->
<script>in.lmp</script>
<!-- topology to be used by csg_stat !-->
<topol>nipam_cg.xml</topol>
<!-- traj file created by lammps !-->
<traj>traj.dump</traj>
</lammps>
<map>map.xml</map>
<initial_configuration>maindir</initial_configuration>
So mapping file is included, but I still get this error:
ERROR:
# critical: 'csg_stat --nt 4 --options
/Volumes/Home/Work/Molstruct/data/decamer/3decamer/T260K/coarse-graining/settings.xml
--top nipam_cg.xml --trj traj.dump --begin 0 --first-frame 0' failed #
Apparently, csg_stat is called without --cg map.xml , which breaks the type
definitions and all the rest of the mapping.
Any ideas?
--Vitalie
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