[gmx-users] 1 ps simulation

[Derrick Guang Yuh Lee]

dear marc

yes, i meant it the other way around, and thanks for the info.


sincerely

 - derrick



 derrick Lee
 faculty of Science
 Memorial University of Newfoundland
 k24dgyl at mun.ca or derrickglee at hotmail.com
 
"a teacher is never a giver of truth - he is a guide, a pointer to the
truth that each student must find for himself. a good teacher is merely a
catalyst." 
                                                              - bruce lee

On Tue, 12 Aug 2003, Marco Ceruso wrote:

> 
> 
> dear gmx-users
> 
> i was just curious, i am attempting to run a simulation for 1 ps and i
> want it to spit out coordinates, velocities, etc every couple of ns.
> >> Did you mean the other way around ? 1ns MD and write every couple of ps?
> 
> 
> do i need to adjust the mdp file or will it do it for me automatically?
> 
> >>In any case you need to adjust  dt,
> nsteps,nstxtcout,nstxout,nstvout,nstfout,nstenergy in the .mdp as per your
> needs
> 
> Marc
> 
>  - derrick
> 
> 
> 
>  derrick Lee
>  faculty of Science
>  Memorial University of Newfoundland
>  k24dgyl at mun.ca or derrickglee at hotmail.com
> 
> "a teacher is never a giver of truth - he is a guide, a pointer to the
> truth that each student must find for himself. a good teacher is merely a
> catalyst."
>                                                               - bruce lee
> 
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