Hi Korey,
Can you elaborate about "unsuccessful at reading in velocity netcdf files
produced from simulation"? (e.g: what's command you used?)
PS: I've posted an example a while ago and I hope that helps:
http://archive.ambermd.org/201805/0078.html
Hai
On Sat, Jun 2, 2018 at 12:08 AM, Korey M Reid <koreyr.unr.edu> wrote:
> Dear all,
>
> I have been able to extract velocity coordinates from a restart file up to
> know for calculations down the line. However, I have been unsuccessful at
> reading in velocity netcdf files produced from simulation. Is there a flag
> that I have been unable to identify such as in cpptraj's usevelascoords?
> The reason I ask is that I would like to code my analysis in python and I
> need to slice things in an unexpected way and would like to avoid rerunning
> some long simulations. As always thank you for your input and time!
>
>
> With best,
>
> Korey Reid
>
> University of Nevada, Reno
>
> Chemistry Dept.
>
> Emphasis: Energy flow, Barrier conductance accross proteins, entropy meters
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Received on Sat Jun 02 2018 - 16:00:02 PDT
