Dear Daniel,
Thanks very much for confirming it!
All the best,
Qinghua
On 07/05/2017 03:51 PM, Daniel Roe wrote:
> Yes indeed - that functionality was folded into the very next Amber release.
>
> -Dan
>
> On Wed, Jul 5, 2017 at 9:06 AM, Qinghua Liao <scorpio.liao.gmail.com> wrote:
>> Hello everyone,
>>
>> Recently, I read the papers about doing Hamiltonian replica exchange
>> with accelerated MD simulations:
>>
>> http://pubs.acs.org/doi/pdf/10.1021/jp4125099
>>
>> In the paper, the simulations were performed with a developmental
>> version of Amber 12, as the boost potential
>> was added to the system potential, in order to calculate the exchange
>> rate between neighboring replicas properly.
>>
>> Is this feature available in Amber16? Thanks very much!
>>
>>
>> All the best,
>> Qinghua
>>
>>
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>
>
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Received on Wed Jul 05 2017 - 08:00:04 PDT
