[gmx-users] cut the trajectory in small sub-trajectories

Elton Carvalho eltonfc at gmail.com
Mon Jan 18 21:46:43 CET 2016


On Mon, Jan 18, 2016 at 7:43 AM, Cuong Nguyen <nvcuong68 at gmail.com> wrote:
> [...] I want to get the average temperature as a function of
> the box's length. Do you have any suggestions?
>

Hello, Cuong,

You can convert your trajectory to the .gro format using trjconv then
write a program/script that uses the velocities in the gro file to
calculate the temperature.


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