Re: [AMBER] Difference between ntx5 and ntx 7

From: Jason Swails <>
Date: Tue, 2 Oct 2012 07:36:44 -0400

On Tue, Oct 2, 2012 at 2:01 AM, Sindrila Dutta banik <> wrote:

> Please tell me the significance of ntx=7 and the difference between ntx=5
> and ntx=7.

I think they are the same. I've never observed a difference between their
behaviors. Indeed, setting ntx=7 or 5 will use velocities from the
previous restart file, and must be used in conjunction with irest=1.


Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
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Received on Tue Oct 02 2012 - 05:00:03 PDT
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