AMBER Archive (2005)

Subject: AMBER: NOE constraints

From: Hui-Hsu Tsai (tsaih_at_ncifcrf.gov)
Date: Tue May 03 2005 - 14:18:27 CDT

Dear Amber Community,

Does NOE constraint in Amber count for the periodic boundary condition?
For example, if NOE constraints are applied for inter-strand distances
between two short peptides, once one of the peptide leaves the box and
enter the box from other side, will this condition cause the problem in
NOE calculations? any people has this problem before?

Thanks.

Gavin

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