[gmx-users] Re: how to constrain the position of DPPC and water

Xavier Periole periole at inka.mssm.edu
Thu Sep 25 19:08:01 CEST 2003

The way you control the constraints is by using the keyword
constraints. As for constraining all bonds you include the
following line in the .mdp file.

constraints              = all-bonds

I would suggest that you go to the manual to check out the
meaning of those constraints and the difference with the
other possibilities as well as the different algorithms
you can use.


More information about the gromacs.org_gmx-users mailing list