[gmx-users] define terminal residue ?

[MD]

On Wed, Jan 24, 2018 at 2:22 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 1/24/18 2:20 PM, MD wrote:
>
>> Hi Gromacs,
>>
>> Can anyone give me a quick example to define the C-term residue? I have a
>> complaint of OXT not defined in rtp and I think I probably should let
>> gromacs know that is my c-term residue. I searched the tags and found this
>> one "
>>
>> *-[no]ter* (no)
>> Interactive termini selection, instead of charged (default)"
>>
>> But I couldn't find a real example to use this tag. My c-term SER358 is
>> the
>> one that causing this issue. Any help will be appreciated.
>>
>
> There's nothing special about them. If a normal amino acid is causing an
> issue, provide your command line and full screen output (please, in
> general, always do this with pdb2gmx problems - there's lots of output and
> experienced users can find subtle things quite quickly).
>

​sorry, i should have looked more closely. problem solved. ​

>
> -Justin
>
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> Justin A. Lemkul, Ph.D.
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