[gmx-users] Calculating Distance
keramati.ma3oud at gmail.com
Mon May 16 09:48:30 CEST 2016
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>
> 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?
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