forces on atom

From: Pijush Ghosh (
Date: Sun Nov 04 2007 - 09:22:00 CST

Hello all,
    I have two questions:

1) I have two segments in my system, one mineral other protein/polymer and
they are not connected. I am pulling the mineral at constant force using
SMD. Is it possible to find the forces (overall interaction) acting on
atom(s) of protein molecule with time using 'loadtotalforces' option or any
other options.

2) Assuming it can be done, I was trying to calculate the forces on one atom
using the 'loadtotalforces' option, using the following script, but ending
up with some error mentioned below. Please let me know the mistake I am

tclForces on
tclForcesScript {
        set aid1 323
        proc calcforces {} {
        loadtotalforces $aid1


FATAL ERROR: can't read "aid1": no such variable
    while executing
"loadtotalforces $aid1 "
    (procedure "calcforces" line 3)
    invoked from within


Thank you.

Johns Hopkins University.

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