AMBER Archive (2008)

Subject: AMBER: ptraj problem with imaging

From: fatima.chami_at_durham.ac.uk
Date: Wed Jul 02 2008 - 11:52:32 CDT

Dear Folks,

Ptraj does not seem to image my MD trajectory which run for 25ns.
Despite this message :

ACTIONS
  1> IMAGE by molecule to box center using the first atom, atom selection *
(All atoms are selected)

but no imaging ..i tailed the last lines of each mdcrd noimaged and imaged and
they look the same a part from that ptraj stripped the box information in the
trajout file
--------------------------------------
trajin run.mdcrd
image center
trajout run_img.mdcrd trajectory
---------------------------------------

% tail run.mdcrd
 280.389 139.553 -75.674 110.504-125.782 -22.627 295.316 191.568 -43.216 106.793
-214.410-102.750 238.944 -50.918 214.620 188.840
  48.163 47.513 47.889

% tail run_img.mdcrd
 280.389 139.553 -75.674 110.504-125.782 -22.627 295.316 191.568 -43.216 106.793
-214.410-102.750 238.944 -50.918 214.620 188.840
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