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