RE: [AMBER] "go" keyword in ptraj

From: Thomas Cheatham III <>
Date: Fri, 30 Apr 2010 09:39:21 -0600 (Mountain Daylight Time)

> I believe the go command is really only of any use when you are running
> ptraj interactively, as opposed to feeding it a script on standard in. If
> you run it interactively I think you can just queue up commands by typing
> them and it only runs when you type go. This is as opposed to when you feed
> it a script in which the 'go' is effectively implicit when it gets to the
> end of the piped file.

Yes, Ross has it right; also, you cannot do two sets of commands in
one script such as:

trajin foo
trajout bar
rms first mass
trajin bar
trajout bar.nowat
strip :WAT

(The "go" was there for interactive use; you could simply type <ctrl>-D
instead as well, but many interactive users do not realize <ctrl>-D means


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Received on Fri Apr 30 2010 - 09:00:03 PDT
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