AMBER Archive (2009)

Subject: Re: [AMBER] Could not find bond parameter for O2 - ca

From: Yogesh Aher (aher.yogesh_at_gmail.com)
Date: Fri Jul 17 2009 - 01:37:52 CDT


Thanks a lot for the suggestion..
I tried to guess them after looking on other parameters. It's seems to be
working. :)

On Wed, Jul 15, 2009 at 5:28 AM, case <case_at_biomaps.rutgers.edu> wrote:

> On Tue, Jul 14, 2009, Yogesh Aher wrote:
>
> > Could not find bond parameter for: O2 - ca
>
> If you are making covalent connections between gaff and Amber force fields,
> you will need to create these missing paramters yourself, probably by
> analogy
> to similar parameters in one or the other parmeter file. There are no
> "standard" sets of such parameters available.
>
> ...dac
>
>
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