[gmx-users] How to define simulation time in mdp file?

Mark Abraham Mark.Abraham at anu.edu.au
Thu Sep 27 07:41:14 CEST 2007


Anirban Ghosh wrote:
> Hi All,
> Can anyone please tell me how to define simulation time in a mdp file. I 
> have the following mdp file and I want to run a simulation for 50 nano 
> seconds. How should I define it in this mdp file?

Section 7.3 of the GROMACS manual goes for 18 pages for a reason.

Mark



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