Hi,
Thanks for the reply. But ntpr, ntwx.... controls the frequency of the output. My question is: eg, I do not want any output in the first 3 ns simulation. Instead, I want to to output after the first 3ns.
Sincerely,
Qian
----- Original Message -----
From: Anselm Horn <Anselm.Horn.biochem.uni-erlangen.de>
Date: Thursday, June 16, 2011 4:18 pm
Subject: Re: [AMBER] amber10 output
To: AMBER Mailing List <amber.ambermd.org>
>
> > Is there any way to print the coordinate, energy.... only
> after a certain time step in Amber 10? Thanks a lot.
>
> of course, see the ntw[xer] and ntpr keywords in the manual.
>
> Regards,
>
> Anselm
>
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Received on Thu Jun 16 2011 - 15:00:03 PDT
