[gmx-users] COM Pulling - Single Chain
chris.neale at utoronto.ca
chris.neale at utoronto.ca
Tue Oct 19 14:50:10 CEST 2010
yes. use the pull code. check your convergence carefully.
--original message --
Hi All,
I was wondering if it is possible to pull on a single chain? I would
like to anchor the C-terminus and pull the N-terminus and have a plot
of pulling force vs displacement.
I'm looking for more or less a yes or no answer, if you would like to
elaborate then I won't complain :)
Thanks,
Joe
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