[gmx-users] impose a external magnetic field

[David van der Spoel]

风 大 wrote:
> Dear all,
> 
> 
> I want to impose a homogeneous static magnetic field on a solution. I 
> just wonder if the gromacs can do it, anyway? I believe gromacs can. 
> However, could anyone give me some suggestions to do it?
This is not implemented. I assume you would want to add a Lorentz force?
The best way to add this code is in the subroutine that does the 
electric field stuff (src/mdlib/sim_util.c, routine calc_f_el).
> 
> 
> Thanks a lot!
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
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
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