VMD-L Mailing List

From: JC Gumbart (gumbart_at_physics.gatech.edu)
Date: Thu Nov 05 2015 - 23:43:12 CST

Is there a way to access it using TCL commands though? Or do we need c
code?

Thanks!
JC

On Thu, Nov 5, 2015, 9:51 PM JC Gumbart <gumbart_at_physics.gatech.edu> wrote:

> Hi John et al.,
>
> We have a problem where we would like to store velocity data for a
> molecule. However, it seems this array only gets initialized if the
> filetype already contains such data. This is what I see in MolFilePlugin.C
>
> > // allocate space for velocities only if
> > // 1) the plugin implements read_timestep_metadata;
> > // 2) metadata->has_velocities is TRUE.
> > float *velocities = NULL;
>
> Is there any way around that? We’d rather not have to use TCL lists to
> store the data (too slow).
>
> Thanks!
> JC
>
>