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

From: gsciaini <gsciaini.qi.fcen.uba.ar>
Date: Fri, 17 Jun 2005 10:41:44 -0300

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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Received on Fri Jun 17 2005 - 14:53:04 PDT
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