Re: AMBER: trouble adding mdcrd files together

From: Carlos Simmerling <>
Date: Fri, 02 Jun 2006 19:45:16 -0400

wouldn't the lack of nobox give a larger trajectory (nonsense data
of course) rather than shorter one?
he might have a combination of this and another problem though.

David A. Case wrote:

>On Fri, Jun 02, 2006, Adam Pelzer wrote:
>>I have run into trouble using ptraj to add two mdcrd files together. My
>>input file was simply this:
>>trajin no_salt_prod.mdcrd
>>trajin no_salt_prod2.mdcrd
>>trajout no_salt_prod1500.mdcrd
>Are these periodic or non-periodic trajectories? If they are non-periodic,
>I think you must add the "nobox" keyword for trajout. It's worth a try
>if you do have a non-periodic simulation.
>Carlos Simmerling's suggestions were good ones. An additional idea is to
>learn enough about the format of the trajectory files to edit it with a
>text editor, and see what might be wrong.
>...good luck...dac
>The AMBER Mail Reflector
>To post, send mail to
>To unsubscribe, send "unsubscribe amber" to

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Jun 04 2006 - 06:07:18 PDT
Custom Search