From: P.-L. Chau (pc104_at_pasteur.fr)
Date: Thu Jul 11 2013 - 04:05:45 CDT
> As long as I know, the pressure profile will be recorded in ".log" file
> by "outputPressure" command in "conf" file at the same time as you are
> running NAMD. Later, you can read ".log" file by VMD. if that is the
> case, read NAMD tutorial for more info.
Thank you for your message.
If I understand you correctly, you are saying that, in order to produce a
DCD file which can be used for pressure profile calculations in the 2nd
pass, I have to insert a outputPressure command in the 1st pass, is that
right?
Many thanks.
P-L Chau
email: pc104_at_pasteur.fr
Bioinformatique Structurale
CNRS URA 2185
Institut Pasteur
75724 Paris
France
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