[gmx-developers] Re: Electric force

[David van der Spoel]

David van der Spoel wrote:
> Aleksandr Morozenko wrote:
>> Hello!
>>
>> Where is the routine where Gromacs calculates the electric force 
>> acting on an atom?
>>
>> Thanks in advance,
>> Alex.
>>
> src/mdlib/sim_util.c
> 
(Assuming you men the electric field as specified in the mdp file, 
Coulomb interactions are more complicated).

-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se