[gmx-users] Deuterium atoms

[Vytautas Rakeviius]

Just change all D to H in structure file IMHO.
 

    On Wednesday, June 20, 2018, 5:39:18 PM GMT+3, Hermann, Johannes <J.Hermann at lrz.tu-muenchen.de> wrote:  
 
 Dear all,

is there any force field in gromacs (or elsewhere) which can handle 
deuterium atoms?

All the best

Johannes

-- 
______________________________________
*Technische Universität München*
*Johannes Hermann, M.Sc.*
Lehrstuhl für Bioverfahrenstechnik
Boltzmannstr. 15
D-85748 Garching
Tel: +49 8928915730
Fax: +49 8928915714

Email: j.hermann at lrz.tum.de
http://www.biovt.mw.tum.de/

-- 
Gromacs Users mailing list

* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_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-users or send a mail to gmx-users-request at gromacs.org.