Re: [AMBER] Can not find dhfr containing 23,558 atoms in AMBER

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 09 Oct 2012 10:11:59 +0200

Dear Xiaofang,

There is a link provided to the benchmark files on the website you
reference:

http://ambermd.org/amber11_bench_files/Amber11_Benchmark_Suite.tar.gz


This contains all the files you need.

All the best
Ross


On 10/9/12 5:18 AM, "╠Ҥ■Ě╝" <xftao.home.ipe.ac.cn> wrote:

>Dear,
>
>When I use Amber(PMEMD) to retest the benchmarks which Amber posted on
>the website, http://ambermd.org/gpus/benchmarks.htm, I can not find dhfr
>which contains 23,558 atoms in Amber12 and AmberTools12 source code, on
>the other hand, I find dhfr which contains 22930 or 2489 atoms and so on.
>Would you please give me some advice to find the dhfr which you use in
>the benchmarks.
>
>Thank you for your attention. Wish to receive your apply.
>
>--
>Best regardsúí
> Xiaofang Tao
>
>
>
>_______________________________________________
>AMBER mailing list
>AMBER.ambermd.org
>http://lists.ambermd.org/mailman/listinfo/amber



_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 09 2012 - 01:30:06 PDT
Custom Search