why nobody answers this question?
On Thu, Mar 27, 2014 at 11:04 AM, Dongshan Wei <dswei0523.gmail.com> wrote:
> Hi Everyone,
>
> I'm converting the Amber force field to DL_POLY force field for Trp-cage
> protein. I dealed with the Amber ff99SB FF, I found in the .prmtop file,
> the "SCEE_SCALE_FACTOR" and "SCNB_SCALE_FACTOR" for some dihedral angles
> are 0.0. If the SCEE factor is 0.0, it means the actually scaling is
> 1.0/0.0 infinitely. So how to understand the 0.0 factor? Thakns!
>
> Best!
>
> Dongshan
>
> --
> ---------------------------------------------------------
> Dongshan Wei, Dr.
> Chongqing Institute of Green and Intelligent Technology, CAS
> 266 Fangzheng Ave, Beibei District, Chongqing 400714, China
> Email: dswei.cigit.ac.cn <dswei.cigit.cas.cn>
> Phone: (+86) 23-65935641
> ---------------------------------------------------------
>
--
---------------------------------------------------------
Dongshan Wei, Dr.
Chongqing Institute of Green and Intelligent Technology, CAS
266 Fangzheng Ave, Beibei District, Chongqing 400714, China
Email: dswei.cigit.ac.cn <dswei.cigit.cas.cn>
Phone: (+86) 23-65935641
---------------------------------------------------------
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Received on Thu Mar 27 2014 - 02:30:02 PDT
