hello, Ganesh Kamath！
sorry, maybe i do not explain the question,
amber offers the parameters of prep. and frcmod. files
what i mean is which force field i should use, such as:
source leaprc.ff99SB
source leaprc.gaff
so i question that should i consider the Accoa as the molecular or a protein?
2011-03-07
asakiayumikio.gmail.com
发件人：Ganesh Kamath
发送日期：2011-03-07 22:11
收件人：AMBER Mailing List
抄送：
主题： Re: [AMBER] forefile of acetyl coenzyme A
What enzyme is this. If you could share the pdb it would be more useful to see
if there are parameters available in amber.
On Mon, Mar 7, 2011 at 9:07 AM, <asakiayumikio.gmail.com> wrote:
> Dear AMBER members,
>
> in a complexes containg an enzyme, a peptide and the accoa
>
> when i load the pdb file into the leap, which forefile should i choose.
>
> leaprc.gaff? or some other forefield?
>
> could anybody doing this job before give me a suggestion?
>
> thank you for your kind help!
>
>
> Best regards
>
> asakiayumikio.gmail.com
> 2011-03-07
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> AMBER.ambermd.org
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>
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Received on Mon Mar 07 2011 - 06:30:14 PST
