From: Ehsan Ban (ehsan.ban_at_gmail.com)
Date: Mon Oct 10 2011 - 01:19:55 CDT
Brian and Bruno,
Thank you both.
I modified the namdenergy.tcl file by commenting the body of the procedure
cleanup. Now, after the plugin runs I get the temporary files including the
log file of the run which contains the components of the force.
2011/10/8 Bruno Luís Pinto de Oliveira <boliveira_at_itn.pt>
> Dear Ehsan,
> *You can use the NAMD energy plugin to compute non-bonded interaction **
> > Hi,
> >Would anyone know if there's a way to find the three components of the
> force vector between two atoms and > maybe find the contributions of the
> Van der Waals and electrostatic forces in that?
> > Thank You
> > Ehsan
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