Ah yes, thank you.
Andre
-----Original Message-----
From: Daniel Roe [mailto:daniel.r.roe.gmail.com]
Sent: Thursday, 11 October 2012 3:57 PM
To: AMBER Mailing List
Subject: Re: [AMBER] no prmtop created with closest
Hi,
The 'outprefix' functionality for closest is a cpptraj-only feature.
-Dan
On Wed, Oct 10, 2012 at 8:26 PM, Andre Serobian <a.serobian.unsw.edu.au> wrote:
> Hi All,
>
> I am running a ptraj script using amber tools 12 to keep the closest 10 waters around a residue.
>
> The problem is that no "strip" prmtop file is created after the script is run.
>
> Script:
> .........................................................
> trajin md_reimaged.mdcrd 18001 20000
> trajout closest_waters.mdcrd
> strip :Na+
> closest 4 :17 H60 oxygen outprefix strip
> .........................................................
>
> Command:
> Ptraj <original prmtop file> <ptraj script>
>
> Any reason for this, am I forgetting to do something here?
>
>
> Kind regards,
>
> Andre
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Wed Oct 10 2012 - 23:00:03 PDT
