[gmx-users] how to obtain NOEs from MD trajectory ?
tsjerkw at gmail.com
Tue Nov 22 21:46:40 CET 2011
Check g_rmsdist -h
Not sure about the references though.
On Nov 22, 2011 3:23 PM, "Jose Borreguero" <borreguero at gmail.com> wrote:
Dear Gromacs users,
Is there any algorithm/procedure to calculate NOEs from an MD trajectory?
I'd greatly appreciate any references where the algorithm is described.
Jose M. Borreguero
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