AMBER Archive (2006)

Subject: Re: AMBER: Tutorial 4-section 4 DIHE in frcmod file.

From: Ilyas Yildirim (yildirim_at_pas.rochester.edu)
Date: Mon Jul 03 2006 - 22:47:22 CDT

Look at page. 257 of AMBER 8 manual. It has a good description of the
dihedral parameters.

Best,

On Tue, 4 Jul 2006, a a wrote:

> Dear Sir/Madam,
>
> I am trying to run the tutorial 4-section 4, and make use of the
> plc.frcmod. However, I have difficulty to understand this file,
> could you mind to explain it a little bit more.
>
> I found the rows under DIHE got 5 columns:
>
> X-NB-CU-X 1 0.000 180.000 3.000
> X-CU-SH-X 1 0.000 180.000 3.000
> X-CU-S -X 1 0.000 180.000 3.000
> X-CT-SH-X 3 1.000 0.000 3.000
>
> What is the meaning of the numbers in the 2nd to 4th columns?
>
> Many thanks in advanced.
>
> aa
>
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-- 
  Ilyas Yildirim
  ---------------------------------------------------------------
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