[gmx-users] gmx 2018 and external field

Alex 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?
>
> Thanks,
>
> Alex
>



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