[gmx-users] Example of H REMD

[Michael Shirts]

Was this not useful?

> Most of this should still be applicable for 5.0.4.
> http://www.alchemistry.org/wiki/GROMACS_4.6_example:_Direct_ethanol_solvation_free_energy

On Mon, Nov 30, 2015 at 8:51 AM, Sanja Zivanovic
<sanja.zivanovic at irbbarcelona.org> wrote:
> Dear users,
>
> Could you please send me some example of inputs for Hamiltonian Replica
> exchange? It would be great if you can write me command line and attach mdp
> file. I would like to make H REMD for following ligand.
>
> Thanks in advance a lot
>
> Best Regards, Sanja
>
>
> --
> *Sanja Zivanovic*
> PhD Student
> https://www.linkedin.com/in/sanjazivanovic
>
> Molecular Modelling and Bioinformatics Laboratory
> Institute for Research in Biomedicine (IRB Barcelona)
> Parc Científic de Barcelona
> Baldiri Reixac 10, 08028 Barcelona, SPAIN
> Tel. (+34) 9340 37155
> http://www.irbbarcelona.org
>
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.