Fix VMD script bugs: pbctools + atomselect segfault#29
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Two bugs fixed in the auto-generated
traj.tclscript.1. Missing
package require pbctoolsThe
pbc boxcall fails withinvalid command name "pbc"unless pbctools is explicitly loaded. Addedpackage require pbctoolsbefore thepbc boxcall.2. Segfault on frame navigation
Registering
faunus_update_chargesas atrace variable vmd_frame(0)callback was creating and deleting anatomselecton every frame step, causing a segfault in VMD 1.9.3.Fix: reuse a single persistent
atomselect(_charge_sel) created once at load time, and update its frame inside the callback instead of allocating a new selection each time.Note: Both issues appear to stem from the template being developed against VMD 1.9.4a57, where pbctools is auto-loaded and atomselect memory management differs.