RE: Simulating air with NAMD

From: JC Gumbart (
Date: Sun May 06 2007 - 14:37:03 CDT

For what purpose do you want to do this? I calculated at standard temp and
pressure that you would only have 13489 molecules of "air" in a cube 100 Ang
on each side which would be pretty sparse. I don't think the CHARMM
forcefield was parameterized for such simulations.




From: [] On Behalf
Of Lechuga, Javier
Sent: Sunday, May 06, 2007 10:05 AM
Subject: namd-l: Simulating air with NAMD




How could I find a way to simulate air with NAMD?. I mean pdb, psf and prm


Thank you

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