[gmx-developers] Adaptive Resolution Scheme (AdResS) in Gromacs 4.6

ms devicerandom at gmail.com
Tue Jun 26 13:15:01 CEST 2012


I have read ( www.compphys.de/publications/2012a.pdf ) that an AdResS 
implementation should be available in gmx-4.6. I would like to ask:

1) Is the implementation as described in the paper already functional in 
the current gmx 4.6 ? Is it usable at least for testing and learning it?

2) Is there any documentation about how to use it in practice? I googled 
but found little...

Thanks a lot,

Massimo Sandal, Ph.D.

More information about the gromacs.org_gmx-developers mailing list