Re: [AMBER] ntxo option in amber

From: Leena Aggarwal <leena.hrc.gmail.com>
Date: Sat, 11 Nov 2017 16:15:09 +0530

Yes, I am using Amber12.

On Sat, Nov 11, 2017 at 4:09 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:

> Should you even be using Amber 12? I would use the latest, and check the
> manual for that.
>
> Bill
>
>
> On 11/11/17 2:36 AM, Leena Aggarwal wrote:
> > Dear Amber users
> > In Amber 12 reference manual, ntxo=0 and 1 are specified but the
> simulation
> > is running even with ntxo=2,3 and even with 4.
> > It is specified in amber archives that ntxo=2 and ioutfm=1 are preferred
> > for very long simulation runs over iwrap=1.
> > What does ntxo=3 and ntxo=4 stand for??
> > _______________________________________________
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>
>
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Received on Sat Nov 11 2017 - 03:00:03 PST
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