[gmx-users] Regarding DUM atom in Gromos force field
bipinelmat at gmail.com
Sat Feb 1 08:15:04 CET 2014
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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