On Thu, 27 Mar 2014 17:06:35 +0800
Dongshan Wei <dswei0523.gmail.com> wrote:
> why nobody answers this question?
Maybe because your original email arrived in my mailbox at 03:04 GMT
which I think is something like 8pm in California? Not everybody is
in front of their computer when you do. Allow at least about 24h of
turn around time. You already started complaining after merely 6h!
I do not know how you have created your parmtop and why the scaling
factors would be zero but have you considered or are you already using
DL_FIELD for this job?
Cheers,
Hannes.
> 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
> > ---------------------------------------------------------
> >
>
>
>
--
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Received on Thu Mar 27 2014 - 03:00:03 PDT
