[gmx-users] loop energies

John Simms jxs818 at bham.ac.uk
Wed Jun 23 13:23:10 CEST 2004

Hi all,
I am doing some loop modelling :-(, using RAPPER to get an initial set of
conformations (1000), i will narrow this down to about 100 and would like to
solvate and minimize. Can I use the g_energy function to get an energy
estimate after bfgs mimimisation just for the loop region?? Or is there

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