[gmx-users] Avoiding calculation on some degrees of freedom

gianluca santarossa gianluca.santarossa at unimib.it
Tue May 17 10:28:59 CEST 2005

Dear Gromacs Users,

is there any way in Gromacs
to keep some bond lenghts or angles fixed,
avoiding calculation of forces from them?

For example, if atoms A and B are bonded, and some force
acts on A, I want to keep the A-B distance constant, moving B
as much as A, and B not affecting force on A.


Gianluca Santarossa
Department of Biotechnology and Bioscience
University of Milano-Bicocca
Piazza della Scienza, 2
20126 MILANO
Phone: +39-2-6448-3475

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