RE: System charge

From: JC Gumbart (
Date: Thu May 17 2007 - 09:14:42 CDT

Check the imbalance of negatively and positively charged residues to confirm
it (positive - "resname LYS ARG", negative - "resname GLU ASP"). You can
also use the keywords basic and acidic.

-----Original Message-----
From: [] On Behalf
Of Ayse Ízlem Sezerman
Sent: Thursday, May 17, 2007 4:03 AM
To: Peter Freddolino
Subject: namd-l: System charge

Hi ,
Can a protein-solvent system have a charge of -32.9999999e before
neutralization? Can the charge of the system be this much ?



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