Re: [AMBER] Error in ptraj analysis after using iwrap=1

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 27 Jul 2012 13:35:53 -0400

On Fri, Jul 27, 2012 at 1:10 PM, Catein Catherine <askamber23.hotmail.com>wrote:

>
> Thank you Dan,
> Yes, jumping is the problem. Should I call up cpptraj as ptraj? i.e.
> cpptraj xxx.prmtop < xxx.cpptraj > xxx.log &
>

Yes. It is backwards-compatible that way.

Stealing Dan's thunder,
Jason 

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Jul 27 2012 - 11:00:04 PDT
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