[gmx-users] options in mdp for PMF
Rebeca García Fandiño
regafan at hotmail.com
Wed Nov 4 19:11:26 CET 2009
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.
Rebeca Garcia Fandiño
Deja que Sietes te enseñe todo los secretos de Windows
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