[gmx-users] Calculating Distance

[masoud keramati]

choose a atom, then calculate the transition vector of it with use of the
initial and final coordinate.


On Mon, May 16, 2016 at 11:50 AM, Sanket Ghawali <sanket.ghawali at gmail.com>
wrote:

> Dear, gmx-users,
>
> Hello everyone,
> I'm simulating a peptide in an SDS micelle. The simulation was
> performed for 100ns
> When I visualize the trajectory in VMD, the peptide moves to the SDS
> interface where initially it was placed in the center,  the results
> are as expected. I would like to calculate the distance the peptide
> has traveled or moved from the center to the interface
>
>
> Any suggestions on how to go about doing this?
>
> Thanks,
>
> Sanket
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