[gmx-users] time step in gromacs 3.3

Qing Zhu qing.zhu at ttu.edu
Fri Nov 4 22:25:32 CET 2005

Hi, everyone

I tried to run lipid membrane simulations by setting the time step to be 
3 fs using gromacs-3.3,  and my simulations always crashed after a short 
time unless I changed the time step back to 2 fs. But if I run the same 
lipid membrane simulations using gromacs-3.2.1, I can even use 4 fs as 
time step and the simulations runs fine. It is not a big problem for me, 
but I am just curious that why gromacs-3.3 is so critical about the time 
step. Any one has an idea?

Qing Zhu

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