[gmx-users] [OT] Software package for discontinuous molecular dynamics? (DMD)
David van der Spoel
spoel at xray.bmc.uu.se
Tue Feb 2 21:54:46 CET 2010
On 2/2/10 4:43 PM, ms wrote:
> David van der Spoel ha scritto:
>> On 2/1/10 4:32 PM, ms wrote:
>>> 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!
>> 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?
What is discrete MD?
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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