[gmx-users] gmx 2018 and external field
nedomacho at gmail.com
Sun Feb 11 08:37:53 CET 2018
Okay, nevermind. The syntax did change. ;)
On 2/11/2018 12:22 AM, Alex wrote:
> 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