may be you can use cpptraj to compute the center of mass (or anything else)
of your trajectory, plot the output to see the messed up frames?
If you know specific frame, you can specify *trajin my.mdcd 1
your_given_frame*?
Hopefully I understand your question correctly.
Hai
On Thu, Aug 25, 2016 at 4:26 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
> I have a netcdf mdcrd file in which the energies went south due to my
> user interactivity feature.
>
> When I try to load the mdcrd in VMD, nothing happens except this
> informative console message:
>
> Info) Using plugin crd for coordinates from file
> amber14/proj/cat_md62.crd
> Problem reading CRD file
> Info) Finished with coordinate file amber14/proj/cat_md62.crd.
>
> I'd like to watch how the blowup occurred - is there some way to repair
> the netcdf up to that point, so I can watch what happens?
>
> Thanks,
>
> Bill
>
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Received on Thu Aug 25 2016 - 14:00:02 PDT
