[gmx-users] starting conformation different
priyaanand_27 at yahoo.co.in
Wed Dec 27 07:56:40 CET 2006
If i start MD with different geometries for the same peptide fragment, ie. different conformation (phi,psi angles)..........and run the simulations for 5ns on all the conformations.....i get different results from all the fragments simulated in vacuum.
Please suggest me the criteria for selecting the appropriate structure from all the final conformations obtained.
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