Re: [gmx-users] Calculating electron density profile of a lipid bilayer system

2019-05-31 Thread Azadeh Alavizargar
- > > > Message: 4 > Date: Fri, 31 May 2019 10:19:56 +0200 > From: Azadeh Alavizargar > To: gromacs.org_gmx-users@maillist.sys.kth.se > Subject: Re: [gmx-users] Calculating electron density profile of a > lipid bilayer system > Message

Re: [gmx-users] Calculating electron density profile of a lipid bilayer system

2019-05-31 Thread ABEL Stephane
1.417--> 1 + 0.417 HTH -- Message: 4 Date: Fri, 31 May 2019 10:19:56 +0200 From: Azadeh Alavizargar To: gromacs.org_gmx-users@maillist.sys.kth.se Subject: Re: [gmx-users] Calculating electron density profile of a lipid bilayer system Message-

Re: [gmx-users] Calculating electron density profile of a lipid bilayer system

2019-05-31 Thread Azadeh Alavizargar
n you electron.dat file accordingly. > > HTH > > -- > > Message: 2 > Date: Thu, 30 May 2019 09:55:18 +0200 > From: Azadeh Alavizargar > To: gromacs.org_gmx-users@maillist.sys.kth.se > Subject: [gmx-users] Fwd: Calculating electron density profil

Re: [gmx-users] Calculating electron density profile of a lipid bilayer system

2019-05-30 Thread ABEL Stephane
u electron.dat file accordingly. HTH -- Message: 2 Date: Thu, 30 May 2019 09:55:18 +0200 From: Azadeh Alavizargar To: gromacs.org_gmx-users@maillist.sys.kth.se Subject: [gmx-users] Fwd: Calculating electron density profile of a lipid bilayer system Message-

[gmx-users] Calculating electron density profile of a lipid bilayer system

2019-05-25 Thread Azadeh Alavizargar
Dear Gromacs users I am trying to calculate the electron density profiles of a lipid bilayer system. However I am not getting the correct profile. I would appreciate it a lot if you can help me. Following is the procedure I go through: 1- first I create a ndx file to select the resnames: gmx