[gmx-users] Understanding of production run with same parameters in md.mdp file

Mark Abraham Mark.Abraham at anu.edu.au
Thu May 29 11:25:45 CEST 2008


minnale wrote:
> Thanks for your prompt reply Florian,
> If I use grompp followed by mdrun commands instead of tpbconv with 
> extend option in case of 1ns interval for 5ns simulation, will it show 
> any difference?

It shouldn't, but there are more issues for the user to take care of, as 
discussed on the URL Florian gave you.

Mark



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