[gmx-users] 2 fs time step??

Vivek Raut vraut at CLEMSON.EDU
Wed Mar 31 18:37:00 CEST 2004


I am running a simulation for 10 ns.

How much of a difference does it make to keep the  time step (dt) = 2 fs and
keeping it = 1 fs??

Is there a compromise for accuracy against speed of MD simulations?

Will my results vary drastically?>

Ideally ( & practically) how much should be the value of dt??

( no. of atoms in my system= 9079)

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