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pkg://liggghts_1.5.3.orig.tar.gz:12522549/liggghts_1p5p3/src/USER-SMD/  info  downloads


The files in this directory are a user-contributed package for LAMMPS.

The person who created these files is Axel Kohlmeyer
(  Contact him directly if you have
questions or for example scripts that use it.

This package implements a "fix smd" command which can be used in a
LAMMPS input script.  SMD stands for steered molecular dynamics.

Here is what Axel said about the new fix:

Please find attached a fix that I was asked to write for our
"coarse-grainers".  They need free energy profiles for their
parametrization and this seems to work best.  The code basically is a
version of "fix spring" on steroids (constant velocity pulling with
velocity set to zero should recover "fix spring"), but I found it
cleaner to have it in a seprarate class since otherwise the result may
become too convoluted for people that only want to use "fix spring".

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