[gmx-users] Force constant for umbrella sampling potential

Mark Abraham Mark.Abraham at anu.edu.au
Tue Dec 18 14:16:41 CET 2007


Farzad Molani wrote:
> Hi every body
> I read a article that wrote 0.5in equation on gromacs.
> please help me about determining of force constant and posistion in 
> umbrella sampling and in later simulation how do I change them.

There are good and bad ways to ask for help on mailing lists. So far, 
your requests have tended to have room for improvement, and that will 
have a lot to do with the fact that you haven't got much help here. 
Check out how to ask "smart questions" here 
http://www.catb.org/~esr/faqs/smart-questions.html and consider its advice.

Cheers,

Mark



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