Thanks Vytautas, might solve it! And additionally change the mass in the
force field.
On 21.06.2018 09:24, Vytautas Rakeviius wrote:
Just change all D to H in structure file IMHO.
On Wednesday, June 20, 2018, 5:39:18 PM GMT+3, Hermann, Johannes
<j.herm...@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
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