[gmx-developers] DPD thermostat

Diddo Diddens diddo.diddens at ics-cnrs.unistra.fr
Fri Jan 3 16:22:59 CET 2014


Dear all,

I have a question concerning the availability of the DPD thermostat in 
Gromacs. On the site

http://www.gromacs.org/Developer_Zone/Roadmap/GROMACS_4.6

I found that the DPD thermostat will possibly be implemented in Gromacs 
4.6 or 5.0. Since I could not find it in version 4.6, I wondered if it 
will appear in version 5.0. I am aware that not all features can be 
implemented by the developers, but since it would be interesting for me 
to use the DPD thermostat, I wanted to ask if there are still ongoing 
efforts to incorporate it (especially due to the fact that a modified 
Gromacs version already makes use of it: 
http://pubs.acs.org/doi/pdfplus/10.1021/ct3000876).

Thank you very much in advance.

Best regards,

Diddo Diddens


-- 
Dr. Diddo Diddens
Institut Charles Sadron
Université de Strasbourg
23 Rue du Loess, BP 84047
67034 Strasbourg Cedex 2
Phone: +33.(0)3.88.41.40.83
Email: d.diddens at ics-cnrs.unistra.fr


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