Transition of Dihedral Angle

User discussions
1

GROMACS version: 2020.3
GROMACS modification: Yes/No
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Hello all,
I’m studying the properties of PNIPMAM in water environment, and i deserve to study the transition of dihedral angle, but i notice that the last version of gromacs able to do that is the 4.5.5; what i would like to know is if the command capable of carrying out this analysis has been changed.
Thank you

2

Hi
you have try gmx angle (see gmx angle — GROMACS 2021.2 documentation)
Best regards
Alessandra

3

I’ve tried using this command but it didn’t produce all the output I asked for. Gromacs only produced the distribution of the moving dihedral angles.
Thank you

4

Hi,
Can you explain in which dihedral transitions you are interested in?
Best regards
Alessandra