Hello again,
By now, that the simulation for one iteration has finished (successfully),
I got a similar error during the analysis:
# ERROR:
#
# critical: 'csg_reupdate --nt 8 --top topol.tpr --trj traj.xtc --options
settings.xml --begin 0 --first-frame 0' failed
#
# For details see the logfile
/home/andrey/Work/Models/DOPC-long-wtip4p-new/ire-Rc1.65nm-freeN-dihs_CG-fits1-151c/inverse.log
Interestingly the error is not mirrored in inverse.log (which reports no
error at all), but when I try to run:
$ csg_reupdate --nt 8 --top topol.tpr --trj traj.xtc --options settings.xml
--begin 0 --first-frame 0
I get:
... <normal output> ...
Total number of parameters to optimize: 333
an error occurred:
property not found: scale
I am lost here, because my settings.xml file works with ibi and imc and
here is the output of `grep scale` for it:
<post_update>scale smooth</post_update>
<scale>0.10</scale>
<post_update>scale smooth</post_update>
<scale>0.10</scale>
<post_update>scale smooth</post_update>
<scale>0.10</scale>
<post_update>scale smooth</post_update>
<scale>0.10</scale>
<post_update>scale smooth</post_update>
<scale>0.10</scale>
<post_update>scale smooth</post_update>
<scale>0.10</scale>
<post_update>scale smooth</post_update>
<scale>0.10</scale>
<post_update>scale smooth</post_update>
<scale>0.10</scale>
<post_update>scale smooth</post_update>
<scale>0.10</scale>
<post_update>scale smooth</post_update>
<scale>0.10</scale>
Did the location of scale tag change? Or is it some other scale tag that is
missing?
Andrey
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