Date: Tue, 11 Jun 2002 06:53:59 -0700
From: case
Subject: RE: Reorder water in amber7

>>
>> 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 ...

The reordering is only internal...when trajectories or
restart files are written, the original numbers are used.
So there should be no reason why this should prevent you
from following a particular water molecule.

...good luck...dac