[gmx-users] degree of freedom
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
>> way to calculate that with Gromacs?
> 3N-5 for each molecule?
> gmx-users mailing list gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
[ 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
More information about the gromacs.org_gmx-users