Do you mean that if we 'crave' QM/MM, it should be implemented in pmemd?
(before Friday?)
Joke aside, what's interesting with sander it that one has a program
that can express energy in many different ways (many different MM +
QM/MM + QM) and one can use any of these energy definitions to do plenty
of things.
I like this idea of 'sander fits all' and 'pmemd is fast, but not for all'.
Gerald.
On 02/12/2014 11:02 PM, Ross Walker wrote:
> Do you truly 'crave' QM/MM?
>
>
> transitive verb
>
> crave verb \ˈkrāv\: to have a very strong desire for (something)
>
> Intransitive verb
> : to have a strong or inward desire <craves after affection>
>
>
> ;-)
>
>
> On 2/12/14, 2:58 PM, "Jason Swails" <jason.swails.gmail.com> wrote:
>
>> On Wed, Feb 12, 2014 at 5:46 PM, Scott Le Grand
>> <varelse2005.gmail.com>wrote:
>>
>>>
>>> What's left in Sander that people crave for in PMEMD?
>>>
>>
>> QM/MM.
>>
>> --
>> Jason M. Swails
>> BioMaPS,
>> Rutgers University
>> Postdoctoral Researcher
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--
____________________________________________________________________________
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e-mail : Gerald.Monard.univ-lorraine.fr
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Received on Wed Feb 12 2014 - 15:30:04 PST
