[gmx-users] Regarding DUM atom in Gromos force field

bipin singh bipinelmat at gmail.com
Sat Feb 1 08:15:04 CET 2014

Hello All,

What is the meaning of the sentence " no idea what the mass should be" in
atomtype.atp file of Gromos force field.

"DUM   0.00000 ;     dummy atom, no idea what the mass should be. PT3-99"

Is the mass of of dummy atom is always zero or something else.

If during a free energy perturbation some atoms are converted into DUM
atoms in the B state then how the bonded parameters (bond, angle dihedral)
will be affected.


*--------------------Thanks and Regards,Bipin Singh*

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