[gmx-users] remd analysis

Mark Abraham 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:
> Sir,
>        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?
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

More information about the gromacs.org_gmx-users mailing list