[gmx-users] Electric Field

[Mark Abraham]

Hi,

Suggestion, get the git version of gromacs and use

 git grep -i -G"electric field"

src/gromacs/applied-forces

Mark

On Sun, Feb 18, 2018 at 7:36 PM Ali Ahmed <aa5635737 at gmail.com> wrote:

> Dear Mark,
> I could not find the electric field calculation code. In 2016 version, the
> code was in mdlib/sim_util.cpp but in 2018 version I could not find it.
> Is it elsewhere? can you tell me, please?
> Thanks
>
> On Fri, Jan 19, 2018 at 12:25 PM, Ali Ahmed <aa5635737 at gmail.com> wrote:
>
> > Dear Mark,
> > Thank you. this is good I will study it.
> >
> >
> > On Fri, Jan 19, 2018 at 10:21 AM, Mark Abraham <mark.j.abraham at gmail.com
> >
> > wrote:
> >
> >> Hi,
> >>
> >> See section 6.7 of the 2018 reference manual for what is supported.
> >>
> >> MArk
> >>
> >> On Fri, Jan 19, 2018 at 3:17 PM Ali Ahmed <aa5635737 at gmail.com> wrote:
> >>
> >> > Hello GROMACS users
> >> > I have looked through GROMACS user manual to understand the theory
> >> behind
> >> > applying external electric field but I did not find any description.
> >> Also,
> >> > I looked at the source code in  sim_util.cpp file but found only the
> >> > time-dependent electric field.
> >> > My question does GROMACS consider Lorentz force for applying external
> >> > electric field or using another theory?
> >> > Thanks
> >> > Ali
> >> > --
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