[gmx-users] The default pH =7.0 ???

Mark Abraham Mark.Abraham at anu.edu.au
Sun May 24 07:59:16 CEST 2009

Chih-Ying Lin wrote:
> Hi
> Does the Gromacs set the default pH = 7.0  ?


This also isn't a meaningful question for an explicit-solvent 
simulation. If you'd done the calculation I suggested yesterday 
(http://www.gromacs.org/pipermail/gmx-users/2009-May/042128.html) then 
you'd already appreciate that.

You've had a number of suggestions from well-meaning people that perhaps 
you need to do some serious background reading. While several people 
here are happy to give free help with general GROMACS issues, asking 
questions on this list is not an effective replacement for knowing 
undergraduate-level coursework material, reading molecular simulation 
textbooks, doing molecular dynamics tutorials, reading primary 
literature and experimenting with calculations. We got our knowledge 
doing the above, and it's not the job of anybody here to teach it to 
you. :-)


More information about the gromacs.org_gmx-users mailing list