[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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