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

2018-02-23 Thread 이연경
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

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

2018-02-23 Thread Dan Gil
Hi, You guessed correctly - gmx potential only calculates the electric field and potential of the system. It does not take into account the applied field. Are you using walls in your system? If so, are you using the 3DC correction along with PME for Ewald summation? If you answered yes to both

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

2018-02-23 Thread 이연경
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