On Mon, Jul 30, 2018 at 9:56 AM, Rinsha Chk <rinshachk.gmail.com> wrote:
> Hi Roja,
> Did you mean bonding information like atom parameters missing which is
> missing for some atom types? In that case, you can add amber=Hardfirst in
> the root section of your input and add the parameters at the end (below the
> connectivity table using HrmBnd1 or HrmStr1 according to your need). Find
> the attachment for parameter data.
>
> On Mon, Jul 30, 2018 at 9:45 AM, roja rahmani <roja.rhmn.gmail.com> wrote:
>
>> Hi
>>
>> I want to use ONIOM method in Gaussian and use amber forcefield for low
>> level. But it needs some bonding information for different atoms. How can
>> i
>> have this information by AMBER (and then apply it in Gaussian?)
>>
>> Best regards
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> Rinsha. C H
> Research Scholar
> Theoretical and Computational Chemistry Lab
> Department of Chemistry
> NIT Calicut
>
--
Rinsha. C H
Research Scholar
Theoretical and Computational Chemistry Lab
Department of Chemistry
NIT Calicut
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Received on Sun Jul 29 2018 - 21:30:04 PDT
