I recently reconfigured espresso from the standard set-up.
It worked fine, except that vmd can no longer select different particle types when displaying the vtf file after a simulation. Nothing has changed in the simulation (tcl) scripts. After comparing vtf files outputted from before and after the reconfiguration (again, from the same tcl script), I notice that extra lines are present:
, one for each particle. Manually removing these does allow me to select particle types again in vmd.
I re-installed espresso to the standard set-up in a separate directory, but I still get these extra lines.
So my question is, where does this originate from, and how can I avoid it?
many thanks,
Koen Nickmans
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