[gmx-users] How to print out .gro per 100 ps?

Mark Abraham Mark.Abraham at anu.edu.au
Sat May 30 07:20:29 CEST 2009

Chih-Ying Lin wrote:
> Hi
> I want to simulate the system straight to 1ns.
> How to print out .gro per 100 ps?
> I only know Gromacs can print out the .gro file at the end of the simulation.
> How can I print out the .gro in the middle way of simulation?

Have a look in the manual. Section 7.4 lists all the GROMACS utility 
programs. One of them does your intended operation, and is described by 
the text "converts and manipulates trajectory files". Then look up its 
documentation in Appendix B.

The manual has 330 pages for a reason :-) Please use it. You'll learn 
better and look more professional.

Doing some more tutorial material might help you get some acquaintance 
with these kinds of procedures.


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