[gmx-users] Calculating Distance
tsjerkw at gmail.com
Wed May 18 08:05:44 CEST 2016
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
> Greatly appreciate your help and do let me know if I need to explain the
> query further
> With regards,
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
Tsjerk A. Wassenaar, Ph.D.
More information about the gromacs.org_gmx-users