[gmx-users] About the parameter in em.mdp..

[Mark Abraham]

Henry Yang wrote:
> Dear users,
> 
> I am running the simulation for 100 ns , 10 ns of each. I have limited 
> space in my a/c. (5 GB). If i will give the frequency of nstxout, 
> nstvout, and nstxtcout 4000 or 5000 steps for every 10 ns simulation, Is 
> that okay for the analysis or it will too long for good simulation 
> analysis. Pls give me some suggession...

That depends on the type of analysis. See also 
http://www.gromacs.org/Documentation/How-tos/Analysing_Trajectory_Information

Mark