Closed blakemertz closed 4 months ago
After getting waterkit to successfully complete on a sample protein, the following files are produced:
gist-Esw-dens.dx gist-Eww-dens.dx gist-dTStrans-dens.dx gist-dTSorient-dens.dx gist-dTSsix-dens.dx gist-neighbor-norm.dx gist-dipole-dens.dx gist-order-norm.dx gist-dipolex-dens.dx gist-dipoley-dens.dx gist-dipolez-dens.dx gist-gO.dx gist-output.dat gist-gH.dx hydration.py hydration_sites_dG_smoothed.pdb gist-dG-dens_smoothed.dx
I know how to load and visualize the pdb/dx files, but I was wondering if there is any documentation describing each of the dx files, or if there is none, could it be provided?
it's in the GIST documentation: https://amberhub.chpc.utah.edu/gist/
@diogomart thanks!
After getting waterkit to successfully complete on a sample protein, the following files are produced:
I know how to load and visualize the pdb/dx files, but I was wondering if there is any documentation describing each of the dx files, or if there is none, could it be provided?