[gmx-users] on the gmx solvate command

[Mark Abraham]

Hi,

Maybe it's right. First, look at the topology you pass to gmx solvate. If
that's not the same one you got back from pdb2gmx then there's no reason to
expect consistency ;-) Otherwise, we can't help without a full list of your
input commands, etc.

Mark

On Thu, Jun 4, 2015 at 10:10 AM Brett <brettliu123 at 163.com> wrote:

> 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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