[gmx-users] gmx potential calculation with one sodium ion at the center of box

Dear Gromacs users, I’m testing a simple system that has one sodium ion to check electric field. (NVE simulation) I used gmx potential- to check electric field. According to gromacs manual 5.0.4 (p.8), ‘the potential of an electronic charge at distance of 1nm equals f ~140 units ~ 1.4V.’

Re: [gmx-users] How can I check external electric field was applied?

essage- From: "Dan Gil"<dan.gil9...@gmail.com> To: <gmx-us...@gromacs.org>, "이연경"<koki0...@naver.com> Cc: Sent: 2018. 2. 24 AM 2:36:06 Subject: Re: [gmx-users] How can I check external electric field was applied? Hi, You guessed correctly - gmx potential only

[gmx-users] How can I check external electric field was applied?

Dear Gromacs users, I’m testing a simple system that has one sodium ion and one chloide ion to check external electric field. ( Apply strong field along z axis, so I added the line of E_z = 1 10 0 to .mdp file. ) After a short simulation, I used ‘gmx potential’ to check the field. But the