From: Mark Abraham (Mark.Abraham_at_anu.edu.au)
Date: Wed Oct 18 2006 - 22:16:02 CDT
Dhiraj Srivastava wrote:
> Hi all
> is there any way to find charge on my protein after generating
> structure file through psfgen? i want to know charge on my protein so i
> can add extra ions to neutralize it.
Read the output closely. There's enough information for NAMD to work it
out, so there'll be enough information for you, too!
(Actually what you want to do is choose the state of each of the
possibly-charged groups to make a sensible physical model. Then answer
to your question is already known. See the documentation and tutorials
for how to do this.)
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