[gmx-users] multiple time step algorithm

Ran Friedman r.friedman at bioc.uzh.ch
Tue May 13 12:51:57 CEST 2008


Berk Hess wrote:
> It would also make the code more complicated than it already is.
>
> Berk.
It may be useful to incorporate these things as part of the source but
to compile them only if requested by the user, as done e.g. in some
features of charmm. This will make the main code only minimally more
complex I guess.

There were recently several contributions that didn't make it to the
main code. This is very understandable, but I guess that as the GMX code
evolves, those contributions become outdated and force their users to
use older versions (at least for a while) or simply phase out.

Ran.
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