[gmx-users] Steered Molecular Dynamics in GROMACS

Arneh Babakhani ababakha at mccammon.ucsd.edu
Thu Jun 1 21:16:06 CEST 2006

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Hello,

Can anyone describe the general procedure for SMD in GROMACS? (i.e. how 
you designate which atoms are to be pulled, in what direction, and by 
what force).

Thanks,

Arneh

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