[gmx-users] Doubt in Gromacs nsteps, ps and ns

salam pradeep salampradeep at gmail.com
Fri Jan 30 08:55:14 CET 2015


Dear Gromacs user,

I am a new users and i have performed the simulation using
http://www.bevanlab.biochem.vt.edu/. Everything is fine. In the md.mdp.

the tutorial run the simulation for :

nsteps= 500000 ; 2 * 500000 = 1000 ps (1 ns)


Now my query is if i want to run for 10 ns
how much will be the nsteps  and ps.


with kind regards
Salam Pradeep
Tezpur University, Assam, India.


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