[gmx-developers] velocity constraining patch

Rafael R. Pappalardo rafapa at us.es
Wed Jan 31 16:19:39 CET 2007

Dear Prof. Hess,
I would like to know if the change mentioned on Oct. 16 about constraining the 
velocities using Langrange multipliers is related with the paper:
"A common, avoidable source of error in molecular dynamics integrators"
J. Chem. Phys. 126, 046101 (2007).


Dr. Rafael R. Pappalardo
Dept. Physical Chemistry, Univ. de Sevilla (Spain)
e-mail: rafapa at us.es

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