[gmx-users] gromacs 5.0

Anders Gabrielsson andgab at kth.se
Tue May 6 15:54:52 CEST 2014

As far as I can tell, it is not documented what should go into this file other than "The data file should contain the options that where passed to g_membed before." from mdrun help text.
I guess the documentation for the specific mdp settings also went out with the g_membed binary? (both man page and pdf manual entry)


On 30 Apr 2014, at 09:35, Carsten Kutzner <ckutzne at gwdg.de<mailto:ckutzne at gwdg.de>> wrote:

gmx mdrun -membed membed.dat

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