[gmx-users] a small bug?

[Mark Abraham]

Mu Yuguang (Dr) wrote:
> Hi all
> We find that in mdp file, if it is written in this way:
> ewald_rtol     = 1e-5
> in fact it is the default value. But grompp cannot recognize it, finally
> in log file output  it will appear:
> ewald_rtol           = 0
> And the simulation box will explode.
> 
> But if it is written in this way:
> ewald_rtol           = 0.00001
> 
> everything is fine.

Nah... "ewald_rtol = 1e-5" works fine. Check for typos, line-ending 
glitches, etc.

Mark