[gmx-users] Gradient electric field in GMX?

David van der Spoel spoel at xray.bmc.uu.se
Sat Apr 8 15:53:13 CEST 2006


Yinghong wrote:
> Dear Gmxers:
>  
> Is it possible to apply a gradient electric field in GMX, which is a 
> function of space? For example, field strength
> in the left side of simulation box is set to zero, which gradually 
> changes to 1 V/nm in the right edge of box.
>  
> If yes, how to compile the source code? Thanks.
You can do periodic fields. Your version would have a discontinuous 
field at the box edge. Is that really what you want?
>  
>  
> Xie YH
> HongKong University
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++



More information about the gromacs.org_gmx-users mailing list