Re: [gmx-users] Trying to explain differences in behaviour between 2fs and 5fs timesteps

On Fri, Aug 2, 2013 at 4:48 AM, Trayder wrote: > Hi all, > I've been running an analysis of the same system (protein/ligand/water/ions) > using multiple timesteps (1-5fs) to identify differences in behaviour > between the settings. To do this I've compared the energy outputs of the 5 > simulations

[gmx-users] Trying to explain differences in behaviour between 2fs and 5fs timesteps

Hi all, I've been running an analysis of the same system (protein/ligand/water/ions) using multiple timesteps (1-5fs) to identify differences in behaviour between the settings. To do this I've compared the energy outputs of the 5 simulations, specifically the averages from g_energy and binning the