Hi,
I would like to calculate the PMF of an ion along a channel using Gromacs 4,
and I have a doubt about the options I should use in the .mdp file:
-which option should I choose for pull_geometry: distance? direction? or
position?
-which is the equivalent option to the old "Pos1" (in Gromacs 3) for the
Gromacs 4 version?
Thank you very much for your help.
Best wishes,
Rebeca Garcia Fandiño
Oxford Universtity
UK
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