[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?
Thanks
Qing Zhu
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