AMBER Archive (2008)

Subject: AMBER: help...ptraj does not output bounding box info

From: Jose Borreguero (borreguero_at_gmail.com)
Date: Wed Sep 03 2008 - 10:39:41 CDT

Hi,
The trajout command does not output the bounding box info for a given input
trajectory. Here's a little example: assuming "file.crd" is a trajectory
containing the bounding box info for each frame:
ptraj file.top
> trajin file.crd
> trajout junk.crd
>go
File "junk.crd" is identical to "file.crd" except the bounding box lines are
missing. This is true also for other output formats like "trajout junk.crd
netcdf".
Is there any way to keep these lines ?
Best regards, 

-- 
Jose M. Borreguero
Postdoctoral Associate
Oak Ridge National Laboratory
P.O. Box 2008, M.S. 6164
Oak Ridge, TN 37831
phone: 865-241-3071 fax: 865-576-5491
Email: borreguerojm_at_ornl.gov

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