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

ms devicerandom at gmail.com
Tue Feb 2 16:43:19 CET 2010


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.



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