From: shivam ghosh (sghosh0186_at_gmail.com)
Date: Fri Jun 22 2007 - 00:42:24 CDT
Dear all namd users,
I am doing a steered molecular dynamics simulation with constant velocity
For a velocity of the order of 10^-8 A/time step for a time step equal to 2
fs the plot of the force versus time graph obtained from the log file shows
a negative value of force.
I am attaching the plot that i obtained for reference.
I am confused whether the plot from log file gives the magnitude of force(in
which case it cant be negative) or the direction as well.
I will be very thankful if anyone could shed some light on the above
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