[gmx-users] REMD

Shine A shine.a at iisertvm.ac.in
Thu Jun 27 07:17:28 CEST 2013

Hai Sir,

            I did an REMD simulation for an intrinsically disordered
peptide.Then I extracted thousands of conformations(pdb) from trajectory.
Now I want to compare experimental Chemical Shifts and NOE distance for the
peptide with all these conformations.How can I do this?

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