On 10/01/2012 9:54 PM, Steven Neumann wrote:
Dear Gmx Users,
I am setting up my simulations of carbon tube with protein. I solvated
my system, added ions and I would like to run EM of my system. My
carbons of the tube in MD will be restrained. In this case should I
run EM of my protein in water (and with ions) separately and the copy
coordinates and then process with NVT and NPT or run EM with
restrained nanotubes of my system directly?
The former is less likely to have problems.
Mark
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