[gmx-users] protein peptide interaction

[MD]

Thanks Justin.
Ming

On Sat, Dec 23, 2017 at 8:29 AM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 12/22/17 9:35 PM, MD wrote:
>
>> Hi Gromacs folks,
>> Does it make sense to combine the protein and peptide in one pdb file for
>> minimization if I want to study the protein peptide interaction? They will
>> belong to two different chains in one pdb file.
>>
>
> That is the *only* way you can study the interaction between two proteins.
> You have to supply a suitable starting configuration of both of them, and
> that requires a single coordinate file.
>
> -Justin
>
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