[gmx-users] Calculating Distance

Tsjerk Wassenaar tsjerkw at gmail.com
Wed May 18 08:05:44 CEST 2016

Hi Sanket,

You can use 'gmx traj' to write the COM over time.



On Wed, May 18, 2016 at 7:09 AM, Sanket Ghawali <sanket.ghawali at gmail.com>

> Thank you Justin. I am sorry, I didn't make my query specific.
> g_dist calculates distance between COMS of 2 groups with reference to time.
> I want to monitor the change in the COM of the peptide with respect to the
> initial position (COM) of the peptide at 0ns and not between COM of 2
> different groups with reference to time.
> Please help me with "how to fix the reference position for distance
> calculation"
> Greatly appreciate your help and do let me know if I need to explain the
> query further
> With regards,
> Sanket.
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Tsjerk A. Wassenaar, Ph.D.

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