[gmx-users] remd analysis
mark.j.abraham at gmail.com
Tue Jun 25 13:57:03 CEST 2013
There's number of analysis tools briefly described in chapter 8 of the
manual, and lots more detail in Appendix D. Have a look at what is
there, and do your background reading of the literature to see the
kinds of things people have done before you.
On Tue, Jun 25, 2013 at 1:18 PM, Shine A <shine.a at iisertvm.ac.in> wrote:
> I did an remd simulation in implicit solvent for a peptide.I want to
> compare the NOE distances from NMR and various conformations from REMD
> output. Here how I get various conformations from remd trajectory? .Is any
> script is available to find distance between two particular atoms?.How I
> get kinetics of folding from g_kinetics?
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