Re: [AMBER] Inquiry About Nonbonded Parameters for AMBER Force Field in GROMACS

From: David A Case via AMBER <amber.ambermd.org>
Date: Tue, 19 Dec 2023 12:02:09 -0700

On Wed, Dec 13, 2023, Fadaei Fatemeh Mgr. via AMBER wrote:
>
>Could you kindly provide insight into how I can find nonbonded parameters
>for the bsc1 and bsc0 force fields in a reference? I have read several
>references but couldn't find this information. I would be grateful if you
>could guide me and let me know if there is another reference for these
>parameters.

I don't know what format you want the nonbonded parameters to be in. One
approach would be to use tleap to create a small piece of DNA, say with just
one each of A,T,C,G. Then use parmed to examine the nonbonded parameters.

But that could be tedious -- a lot depends on what you want to do with the
information once you obtain it.

...dac


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Received on Tue Dec 19 2023 - 11:30:02 PST
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