[gmx-users] Step-by-step example of protein-membrane MD start to finish

Thomas Lipscomb linuxborg2 at yahoo.com
Sun Nov 9 20:49:03 CET 2014


Is there an example of using Gromacs to do Molecular Dynamics that goes step by step command by command?  Hopefully an example that does MD of protein(s) in a membrane?

Right now I am using two tutorials:

This is the main one that I am walking in the footsteps of:
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/03_solvate.html


This is the backup when I have problems with the main one:
GROMACS demo (for GROMACS version 4.5)

http://stark.udg.edu/~perico/docencia/curs_11_12/BIA_tutorial.pdf


But as you know I got stuck several times with these tutorials.  I don't want to waste your time with too many more questions posted on this mailing list, and an example would help prevent that.

Sincerely,
Thomas


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