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

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 -- gmx-users mailing listgmx-users@gromacs.org

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

Hi Jose, Check g_rmsdist -h Not sure about the references though. Cheers, Tsjerk On Nov 22, 2011 3:23 PM, Jose Borreguero borregu...@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