[gmx-users] Charge groups

Marcelo Vanean vanean22 at gmail.com
Tue May 14 02:23:16 CEST 2013


Hi. I'm with doubts concerning the charge groups. I am simulating ethylene
glycol and the only way of charged groups are neutral is putting all atoms
in only one charge group. This is advisable? Is that a problem? What is the
greatest number of atoms in a charge group which is recommended?



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