AMBER Archive (2004)

Subject: Re: AMBER: question about ptraj

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Wed Jul 21 2004 - 15:32:29 CDT


Hi, Jeny

trajin is not one of the "action" commands. usually, you can type your
following actions into ptraj interactively or put all commands in a
small file. at the end of your interactive session or file, add "go" to
tell ptraj to start. otherwise, it will just wait for more commands.

Guanglei

jz7_at_duke.edu wrote:

> Dear all,
>
> How can I know the "action" in ptraj is done? After loaded the
> parameter-topology file, I used the "trajin *trajfile*" to load my MD
> trajectory. But then screen stopped at "Checking coordinates: *trajfile*".
> Is ptraj loading those trajectories? I have waited for several minitues,
> nothing came out. Did I do anything wrong?
>
> Sorry for the trival question about ptraj.
>
> Thanks a lot!
>
> Jeny
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