AMBER Archive (2002)

Subject: Reorder water in amber7

From: Peter Varnai (Peter.Varnai_at_ibpc.fr)
Date: Tue Jun 11 2002 - 03:38:32 CDT

Dear AMBER-group,

"Reorder water Setup" appeared in the amber7 output
files but I could not find documentation about it.

What is the reason to do reordering of waters at each
startup? This way I can't follow up the trajectory of a
specific WAT in a concatenated trajectory? E.g. to see
if the crystal waters have moved or not ...

Thank you,
Peter Varnai