[gmx-users] gromacs.org_gmx-users Digest, Vol 169, Issue 118

[niki24 at tezu.ernet.in]

>
> On 5/31/18 10:54 AM, niki24 at tezu.ernet.in wrote:
>> Hello,
>>
>> Can anyone provide me with the correct topolgy file for
>> Adenosine-5'-Monophosphate(AMP).
>
> AMP is part of the CHARMM36 force field. Generate the topology with
> pdb2gmx.
>
> http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Assistant Professor
> Virginia Tech Department of Biochemistry
>
> 303 Engel Hall
> 340 West Campus Dr.
> Blacksburg, VA 24061
>
> jalemkul at vt.edu | (540) 231-3129
> http://www.thelemkullab.com
>
> ==================================================
>
>
>
> ------------------------------
> Dear Justin,

Thanks a lot for your reply.
I have generated the topology using CHARMM36 forcefield.
But, however i would like to convert it into an itp file to
be used in gromos54a7 force field.

I am not being able to properly generate the itp file.

I have attached the topol.top file generated for AMP through CHARMM36 in
the link provided.

https://www.dropbox.com/s/uetrnnim4a30j01/topol.top?dl=0

Thanks


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