[gmx-users] How to run MD with longer recording interval to reduce the file size?

[ZHANG Cheng]

Dear Gromacs,
I am following Justin's tutorial of "Lysozyme in Water" to run the MD.


The .trr file got more than 10 GB after 30 ns. So I plan to run a MD with less frequent intervals.


In the md.mdp file, the "dt = 0.002". My understanding is to change the five "5000" into "50000" to achieve 10 times less file size:


i.e. change the following
nstxout		        = 5000
nstvout		        = 5000
nstenergy	        = 5000
nstlog		        = 5000
nstxout-compressed  = 5000



into 


nstxout		        = 50000
nstvout		        = 50000
nstenergy	        = 50000
nstlog		        = 50000
nstxout-compressed  = 50000



Can I ask, if there is something else I need to do in addition to those five "5000"?


Thank you.


Yours sincerely
Cheng