[gmx-users] Help with MD of water

[Jan Riehm]

Hey,

there are tutorials from Justin Lemkul which should fit your demands and 
guide you through:

http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/

Best, Jan


Am 09.08.16 um 20:03 schrieb Omamuyovwi Akemu:
> Dear Gromacs Users,
> I will like to do a molecular dynamics simulation of water in gromacs. Thereafter obtain thermodynamics observable like potential energy and well as structural and dynamics properties of the system.
>
> However, I kindly request for help with the topology file (.top) and molecular structure file (.gro) or a guide to kick off the simulation.
> I will really appreciate any comment.Thank you.
> Jolayemi Omamuyovwi RitaResearch Student,University of Benin,Nigeria.
> Sent from Yahoo Mail on Android