[gmx-users] on the gmx solvate command

Brett brettliu123 at 163.com
Thu Jun 4 10:09:44 CEST 2015


Dear All,


Before I neutralize my system with the genion command, I solvate it  with the gmx solvate command, it writes, "System total charge: 0.00". But the pdb2gmx step clearly indicate the systemp has -62 negative charges.


Will you please explain to me why the gmx solvate step can show the system as without charge?


Brett


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