Thank you Erik and Viet Man! On Mon, Nov 16, 2015 at 6:24 PM, Man Hoang Viet <mhv...@ifpan.edu.pl> wrote:
> Hi, > > I can confirm electric field (even laser-pulse form) in GROMACS (all > version from 3.0 to current newest one) work fine. To check it, you may > consider a system containing only an ion (say Na+) in vacuum and set mdp > file as: > ####### > dt = 0.0002 ; ps ! > nsteps = 100 ; total 20 fs > > ... > > Tcoupl = no > Pcoupl = no > gen_vel = no > E-x = 1 30 1 > #### > > After run MD you may check the velocity of the ion and see how it work by > some general motion equations such as Force = -q*E = m*a --> > veleocity=a*t. > > Additionally, the option -field of mdrun will give output of electric > field. > > Good luck! > > Viet Man > > > > Date: Sun, 15 Nov 2015 22:58:34 +0330 > > From: Maryam Kowsar <maryam.kow...@gmail.com> > > To: email@example.com > > Subject: [gmx-users] electric field > > Message-ID: > > <CAK1iX1UrqgQ61-VCbEg8-dMLjQXs+6KuERQ7m47SzxFy4ubk= > a...@mail.gmail.com> > > Content-Type: text/plain; charset=UTF-8 > > > > Dear users, > > > > I applied electric fields of different magnitudes (less than 1 v/nm since > > higher amounts are avoided) in my system. I have some charged water > > molecules and I expected to see very different results when the magnitude > > is changed, but haven't got that much difference. How can I be sure that > > electric fields worked? > > I found the following link that it changed the code of electric field > > according to the shape of the system: > > http://www.gromacs.org/Developer_Zone/Programming_Guide/Patching_mdrun > > Can the current implemented code in gromacs be applied for all systems or > > should I change it for different systems? > > > > Thanks! > > > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.