AMBER Archive (2004)

Subject: Re: AMBER: One more question about the tree structure of looping residues

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Thu Aug 26 2004 - 13:31:23 CDT

> the tree labels for
> some atoms in the loops are changed. Does it necessary
> to change? Why does it happen?

Tree types are not unique - multiple sets can accurately describe
a residue. Leap does not use them internally except when converting
prep.in format, and it does not save them when doing so. Leap does
generate tree types on the fly for prmtop files in case they may be
useful to analysis programs.

Bill
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