AMBER Archive (2008)

Subject: AMBER: Imaging before HBond analysis?

From: Evan Kelly (ebkelly_at_ualberta.ca)
Date: Fri Apr 11 2008 - 15:34:41 CDT


Hi Everyone,

I am wondering if the HBond function in ptraj (Amber version 9)
implicitly handles PBC imaging considerations, or if an image command
must be issued before the hbond command? The manual doesn't seem to
state one or the other is the case.

Thanks!

----------------------------------
Evan Kelly
ebkelly_at_ualberta.ca

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