GROMACS can support covalent bonds across a periodic boundary. I am
interested in converting a GROMACS model that makes use of this feature for
use with Amber using ParmEd's gromber command, but it appears that Amber
doesn't know how to handle these bonds correctly.
The most recent discussion of this I could find was from 2009:
http://archive.ambermd.org/200910/0240.html
Has there been any update to this since then? Are there any intentions of
adding this feature in the future?
Thanks!
-Tucker
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Received on Thu May 20 2021 - 09:30:02 PDT
