[gmx-users] [OT] Software package for discontinuous molecular dynamics? (DMD)

[David van der Spoel]

On 2/2/10 4:43 PM, ms wrote:
> David van der Spoel ha scritto:
>    
>> On 2/1/10 4:32 PM, ms wrote:
>>      
>>> Hi,
>>>
>>> Sorry for the offtopic but Google/literature quick search is not helping
>>> and I'd like to have some more informed opinion.
>>>
>>> To my understanding, GROMACS isn't capable of discontinuous molecular
>>> dynamics. Is there any more-or-less standard software package for that?
>>>
>>> thank you!
>>> m.
>>>        
>> Can you be more specific please?
>>
>>      
> Uhm, in what meaning?
> I was pondering about using DMD for use with a coarse-grained model and
> I wondered if there is a standard package for that. Don't know how to be
> more specific, what is unclear in my question?
>
> thanks,
> M.
>    
What is discrete MD?

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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