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: gromacs.org_gmx-users@maillist.sys.kth.se > 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.
