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>
>
> 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
1.417--> 1 + 0.417
HTH
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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-
Dear Stephane
Thank you very much for your reply. I am sorry, I had not noticed you have
answered before and was thinking my message has not been sent so I sent it
again.
I am sorry, but I did not get you completely. How should I take into
account the number of electrons? I thought that I just
Hello
I gave you a response few days ago
For the calculations of the EDP you have to take into account of the charges of
the atom (it is mentioned at the end of density tool ("known issue")) . So
modify the number of electrons to have the "real" electron numbers in you
electron.dat file
