[gmx-users] gmx 2018 and external field

Alex nedomacho at gmail.com
Sun Feb 11 08:22:21 CET 2018

Hi all,

I was rerunning some existing inputs and it appears that E_z is not 
causing any ionic fluxes.

I am comparing two runs from identical mdp files, both with "E-z = 1 
0.07 0.0" and with 2016.4 there was considerable ionic flux, as one 
might expect, while with 2018 there is basically nothing. The fields are 
non-negligible and the differences between the results obtained with two 
GMX versions are very significant.

Did the syntax change? Any suggestions?



More information about the gromacs.org_gmx-users mailing list