Robert,
I believe NTX=5 is still supported for general production runs, and that
the 1 or 2 only options for NTX for a specific model (GBSA?).
Best,
Kenneth
On Sun, May 24, 2015 at 1:10 PM, Robert Molt <rwmolt07.gmail.com> wrote:
> 1.) While trying to figure out what is wrong with my QM/MM calculation,
> I noticed the following. Consider the following Amber tutorial:
>
> http://ambermd.org/tutorials/basic/tutorial0/
>
> In this tutorial, concerning the 03_Production run, it states that the
> use of ntx=5 specifies that the coordinates and velocities will be read
> in from an inpcrd file. However, in the actual tutorial procedure, one
> reads in the p and q values from a .rst file. This is a minor typo, I
> believe.
>
> 2.) I noticed that, in the Amber 15 manual, the ntx keyword can only
> take on the values 1 or 2 (not five).
>
> --
> Dr. Robert Molt Jr.
> r.molt.chemical.physics.gmail.com
> Nigel Richards Research Group
> Department of Chemistry & Chemical Biology
> Indiana University-Purdue University Indianapolis
> LD 326
> 402 N. Blackford St.
> Indianapolis, IN 46202
>
>
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Received on Sun May 24 2015 - 11:30:02 PDT
