Re: electron density calculations of lipid bilayers

From: Jérôme Hénin (
Date: Mon Feb 23 2004 - 01:47:11 CST


> I am trying to calculate the electron density profiles (EDP) of the lipid
> bilayers, and i would like to average this over different frames in the
> DCD files. Is the atom type included in DCD files?

> if so how to extract
> the info?
You need to add separate information from a PDB or PSF file to map atom
numbers to atom types.

> Also does anyone has a code to calculate the EDP using the NAMD DCD files?
I guess the preferred way would be using python and MDtools. I have a rather
crude C program that works, though. Let me know if you're interested.



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