Re: [AMBER] "go" keyword in ptraj

From: Ben Roberts <>
Date: Fri, 30 Apr 2010 14:36:14 -0400

On 30/4/2010, at 11:39 a.m., Thomas Cheatham III wrote:

>> 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
> go
> trajin bar
> trajout bar.nowat
> strip :WAT
> go
> (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
> EOF)

Righto. Thanks, Tom and Ross, for the clarification.
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Received on Fri Apr 30 2010 - 12:00:03 PDT
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