[gmx-users] about nmr refinement

Rogelio Hernández rahl_emc at yahoo.com.mx
Thu Apr 17 00:48:21 CEST 2008

dear users,

 I want to do a NMR refinement of a protein structure that comes from CYANA, (torsion angle dynamics), to include the interacctions betwen protein with the solvent, and improve the quality of the structure,

my question is about the protocol that i should do, i have read the manual but i dont know if i need to do annealing simulation, or position restricted dynamics or use nmr refinement and how i should choose the parameters, is there any manual to do that? 

thanks in advance



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