AMBER Archive (2005)

Subject: Re: AMBER: How to modify force constants and equalibrium values for standard residues

From: gsciaini (gsciaini_at_qi.fcen.uba.ar)
Date: Fri Jun 17 2005 - 08:41:44 CDT


You can modify force constants and eq dist value changing these values in
the .top file after its generation by tleap.

Good Luck.
G.

 

Li Su writes:

> Dear amber users,
>
> I'm wondering if there is someway for me to modify force constants and
> equalibrium values for standard residues besides directly change the
> prmtop file. If it is the only way (the amber script I'm using is
> installed on some mainframe,so I can't modify it' s library), where can I
> find some straightforward examples? Thank you in advance.
>
>
> Best wishes,
>
> Li
>
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