From: Ioana Cozmuta (ioana_at_nas.nasa.gov)
Date: Thu Oct 16 2003 - 17:36:18 CDT
Hi namd users,
I want to use the Pair Interaction Calculation feature in namd 2.5 but I
seem not to be able to figure out the right way to do it.
I want to get forces on group 1 from interaction with group 2 calculated
from a dcd trajectory. The manual says to set "run 0" so that NAMD does
NOT run any dynamics but only prints the energies/forces. However I want
NAMD to print the energies/forces at every time step existing in the
trajectory file. The problem is that it's only giving me the output for
the first step.
I would appreciate if anyone could help me with this.
I am using the configuration file below.
# NAMD CONFIGURATION FILE FOR Kz90
# force field params
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