[gmx-users] Size of generating data

Milan Melichercik melichercik at nh.usbe.cas.cz
Tue Apr 20 18:22:58 CEST 2010

On Tuesday 20 April 2010 18:02:50 Bharath.K. Chakravarthi wrote:
> hi all....
> I'm running simulation for a protein of about 150 amino acids for 1000000
> steps i.e  2 ns in a system of about 35 GB disk space.
> is there any way to know the approximate size of generating data.....

The grompp command give you that estimation (at least in the 4.x version)


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