Re: [gmx-users] NMA proctocol

On 11/16/12 6:44 PM, Yao Yao wrote: Hi Gmxers, For Normal Mode Analysis (NMA), even I did run several rounds to aim for machine precision, with smaller emtol stepwise, it still did not converge to 0.001 and the Fmax is about 0.5 or so. It is just lysozyme in 200 water molecules. Are you

[gmx-users] NMA proctocol

Hi Gmxers, For Normal Mode Analysis (NMA), even I did run several rounds to aim for machine precision, with smaller emtol stepwise, it still did not converge to 0.001 and the Fmax is about 0.5 or so. It is just lysozyme in 200 water molecules. I wonder if there is a systematic way to guarantee