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I want to use the command line tool with VMD molfile plugin (version1.9.4a38). But it ran into segmentation fault.
It seems in some later version of the VMD molfile plugin, "velocities" member is added to the molfile_timestep_t struct and it needs to be initialized. The segmentation fault I encountered can be removed by setting the pointer to NULL after line 392 in cltools/Driver.cpp:
ts_in.velocities = NULL;
Similar issues may also exist in the molfile module.
The text was updated successfully, but these errors were encountered:
Hello,
I want to use the command line tool with VMD molfile plugin (version1.9.4a38). But it ran into segmentation fault.
It seems in some later version of the VMD molfile plugin, "velocities" member is added to the molfile_timestep_t struct and it needs to be initialized. The segmentation fault I encountered can be removed by setting the pointer to NULL after line 392 in cltools/Driver.cpp:
ts_in.velocities = NULL;
Similar issues may also exist in the molfile module.
The text was updated successfully, but these errors were encountered: