Diddo Diddens
2014-01-03 15:05:27 UTC
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: ***@ics-cnrs.unistra.fr
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: ***@ics-cnrs.unistra.fr
--
Gromacs Developers mailing list
* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List before posting!
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers or send a mail to gmx-developers-***@gromacs.org.
Gromacs Developers mailing list
* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List before posting!
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers or send a mail to gmx-developers-***@gromacs.org.