Den 2018-10-01 kl. 17:23, skrev Geoffrey Hutchison:
Hi, we are trying to implement the babel force field code into gromacs but face
a weird problem. In summary, we copied the relevant lines from obenergy.cpp:
…
However this does not help when using the above statement in gromacs. Anything
we
> Hi, we are trying to implement the babel force field code into gromacs but
> face a weird problem. In summary, we copied the relevant lines from
> obenergy.cpp:
> …
> However this does not help when using the above statement in gromacs.
> Anything we have forgotten?
My guess, without having
