[gmx-users] center of mass removal

baloilgiullare at interfree.it baloilgiullare at interfree.it
Wed Mar 19 00:22:48 CET 2008

Hi all,

searching in the ml I found this thread:
about comm-mode=angular and the method described in
J. Chem. Phys. 112(1) pp. 9-23 to remove com translation and rotation.

I was not able to download the modified versions of the code at
http://md.chem.rug.nl/~tsjerk/GMX/ where this method is implemented.
I was wondering if anyone has implemented it in some newer version of 
gromacs as Tsjerk Wassenaar did for 3.2.1.

I am reading the relevant paper about the method just now but Iwas not 
able to find any additional examples of its use.
When it is better/necessary to use it than simply removing com 
translation, given that I do not want to use comm-mode=angular with

thank in advance

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