I see. Thanks!
Best wishes,
Xing
On 09/24/2015 03:13 PM, Jason Swails wrote:
> On Thu, Sep 24, 2015 at 3:11 PM, Xing <stecue.gmail.com> wrote:
>
>> Dear all,
>>
>> I'm simulating a peptide without any capping group at the C-terminus. Is
>> there a "-OH" residue that I can use in xleap to build a free carboxyl
>> group using "sequence" command?
>>
> No. You will have to create a new residue with a protonated carboxylic
> acid terminus. All C-termini in Amber are charged.
>
> HTH,
> Jason
>
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Received on Thu Sep 24 2015 - 13:30:03 PDT
