[gmx-users] Help with MD of water
omamuyovwiakemu at yahoo.com
Tue Aug 9 20:04:04 CEST 2016
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.
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