[gmx-users] virtual site connected to dummy massive site

Faezeh Pousaneh fpoosaneh at gmail.com
Mon Nov 20 18:18:30 CET 2017


I have a system containing of a virtual site of carbon connected
symmetrically to two dummy massive sites (no charge). like :  M---C---M
My problem is the results I get from simulation of this system is not equal
with results of single Carbon system simulation with mass of 2M (at exactly
similar conditions)?
They produce different LJ coul energies, I have even tried for non-charged

Thank you in advance for help,
Best regards

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