[gmx-users] writing trajectory of an atom

Hadi Rahmaninejad ha.rahmaani at gmail.com
Tue Dec 17 22:04:40 CET 2019


Hello Dear gromacs users,

To reduce the size of my xtc file, I need to just extract the trajectory of
a especial atom, which is not an independent group, it is just one atom in
a group. I know that in md options I can narrow down trajectory of a group
(xtc_grps = XXX), but for just one atom or molecule in that group I cannon
find. I appreciate if any user can give me some hint,

Thank you,
Hadi


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