[gmx-users] atom types consistency between atb and charmm

[MD]

Will do :)
Ming

On Thu, Jan 4, 2018 at 6:06 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 1/4/18 12:20 PM, MD wrote:
>
>> Hi Justin,
>>
>> Then what would be the solution if I need to add a modified amino acid in
>> merged.rtp and ffbonded.itp I wonder? My amino acid will have a fairly
>> large ligand covalently bonded with.
>>
>
> I've expounded upon CHARMM parametrization tools and methodology many
> times on this mailing list. Please search the archive to avoid me having to
> type out a long thesis that I've already posted many times before :)
>
>
> -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.biochem.vt.edu/people/faculty/JustinLemkul.html
>
> ==================================================
>
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/Support
> /Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>