[gmx-users] degree of freedom

Nicolas SAPAY nsapay at ucalgary.ca
Thu Mar 1 02:27:28 CET 2007

Actually, I had a doubt on what happens when movements of the center of
mass are removed and when the position of a molecule is constraint... Just
wanted to check my calculations...


<quote who="Mark Abraham">
> Nicolas SAPAY wrote:
>> Hello everybody,
>> I want to know the number of degrees of freedom in my system... Is there
>> a
>> way to calculate that with Gromacs?
> 3N-5 for each molecule?
> Mark
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[ Nicolas Sapay Ph.D. ]
University of Calgary, Dept. of Biological Sciences
2500 University Dr. NW, Calgary AB, T2N 1N4, Canada
Tel: (403) 220-6869
Fax: (403) 289-9311

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