[gmx-users] fail adding an external electric field
David
spoel at xray.bmc.uu.se
Tue Aug 5 11:20:01 CEST 2003
On Tue, 2003-08-05 at 11:08, nanyu101 wrote:
> Dear gmx-users,
> I have tried to run MD with an external electric field for my system in the z direction:E_z = 1.0 0.5 0
>
> At the same time, I have run another MD without external electric fields. After 2ns MD running, I checked these two MD results, I found that energy terms,dipoles and RMSF are all the same, so I think I failed in adding external electric fields for my system. Would you please give me some advices?
>
http://www.gromacs.org/documentation/reference_3.1/online/mdp_opt.html#ef
> Thanks a lot.
>
> Best wishes,
> nanyu
> ______________________________________
> Best wishes,
> Xianhui Wu
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--
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Dept. of Cell and Molecular Biology
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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