Concerning non-fixed bonds

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5 years 4 months ago #565 by pobhomri
Dear Cassandra users and developers,

I would like to know how I can handle a non-fixed bond issue that I am facing with a force field. I read in the software documentation that I should use either the nominal or “equilibrium” bond lengths of the force field as the fixed bond lengths. Thus, should I ignore the force constants for bond stretching or is there a way that I can implement them in the software?

Many thanks in advance.

Perci Homrich.
Postdoctoral researcher at the University of São Paulo.

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5 years 4 months ago #570 by emarin
Hi Perci,

Yes, we currently do not support flexible bond lengths. I think using fixed bond lengths with the nominal bond lengths should be fine.

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