[gmx-users] difference between steep and cg
tsjerkw at gmail.com
Sat Jul 11 09:45:55 CEST 2015
Hi Ming Tang,
It has a further link to CG.
On Jul 11, 2015 4:10 AM, "Ming Tang" <m21.tang at qut.edu.au> wrote:
> Dear Gromacs experts,
> I am quite confused about the difference between the energy minimization
> algorithm steep and cg. According to my experience, MPI is not suitable for
> cg. Sometimes, even if the system has already converged using steep
> algorithm, it can be further minimized if one changes the algorithm to cg.
> However, most of the publications choose to use steep descent algorithm.
> Which one is more accurate? Is cg only suitable for specific analysis like
> normal mode analysis?
> Thanks in advance,
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