[Chimera-users] HBONDS comparing GROMACS and CHIMERA

[Sourpis, Anastasios]

Dear All,

I would like to ask about the hydrogen bonds' built-in configuration
of CHIMERA.


Can I possibly have some insight into how it works?

Regarding the distance and angle constraints do you have any
graphical representation of the conditions.

I would like to attach a figure and ask if this is the correct
applying configuration regarding the distance and the angle
(hbonds_lst.pdf).


Also, I would like to share with you the output
when I compare gmx hbond using GROMACS and
chimera.

ATTENTION: using gmx hbond I have the connected atoms
via hydrogen, but the two configurations are essentially
different (chimera_(molecules).tga and gromacs_atomonly.tga).

Thank you in advance.
Kind regards,
Tasos Sourpis






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