[gmx-users] how to obtain NOEs from MD trajectory ?

Tsjerk Wassenaar tsjerkw at gmail.com
Tue Nov 22 21:46:40 CET 2011

Hi Jose,

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.

Best regards,
Jose M. Borreguero

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