try source leaprc.ff99SB
2011/3/7 <asakiayumikio.gmail.com>:
> 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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Received on Mon Mar 07 2011 - 06:30:18 PST
