AMBER Archive (2003)

Subject: Re: a question about scale factor

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Sat May 10 2003 - 23:00:24 CDT

If you are talking about the 1-4 scale factor,
it would not be applied in this case. It is only
for atoms that are at the ends of a dihedral (the
1-4 refers to atoms 1 and 4 in 1-2-3-4 sequence).

If that is not what you meant, please try to be
more specific about what scale factor you mean.

Carlos

----- Original Message -----
From: "Ye Mei" <ymei_at_202.119.52.76>
To: "amber_at_heimdal.ucsf.edu" <amber_at_heimdal.compchem.ucsf.edu>
Sent: Saturday, May 10, 2003 10:53 PM
Subject: a question about scale factor

> Hello，
>
> I have a question about vdw and electrostatic interactions. When I
calculate the interactions between a peptide and an ion, of course they are
not bonded together,the scale factor of 1/2 and 1/1.2 should be used
separately in vdw and electrostatic interaction?
>
> 　　　　　　
>
> Best regards!
> Ye Mei
> ymei_at_itcc.nju.edu.cn
> 2003-05-11
>
>
>