Re: [AMBER] Compatibility Question

From: Ross Walker <>
Date: Mon, 14 Mar 2011 18:44:29 -0700

Hi Azat,

> I have got Amber11 and AmberTools1.4 recently, and installed on my PC. But
> at Teragrid cluster only sander and pmemd of Amber9 available.
> Is it OK, if I'll use AmberTools1.4 and Amber11 for input files
> preliminary stages of MD, and data processing; and Amber9 for main MD
> simulation?
> Are they enough compatible to work in such way?

Yes they should be compatible as long as you are not using any new features
of AMBER 11. However, you would be better putting AMBER 11 on the cluster
you are using since you will likely get better performance.

Which TeraGrid cluster are you using? - It is fairly easy to compile your
own copy on all of the TeraGrid machines.

All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
| | |
| Tel: +1 858 822 0854 | EMail:- |

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Received on Mon Mar 14 2011 - 19:00:02 PDT
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