AMBER Archive (2007)

Subject: AMBER: about wrap the trajectory

From: Rachel (comeonsos_at_googlemail.com)
Date: Thu Jul 26 2007 - 11:18:32 CDT

Dear all,

I solvated my protein with truncated octahedral water box, and the iwrap is
set to 0, and I want to image the trajectory back to primary box for
analysis, can I ask if I used a rectangular box rather than a truncated
octahedral box to wrap the trajecotries, will that change the trajectories
or the results would still be the same? thank you.

Kind regards,
Rachel

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