[gmx-users] error while adding charges to the system using genion

[Mark Abraham]

On 13/12/2011 4:55 PM, Nishith Saurav Topno wrote:
> Dear all,
>
> i need to add 8 positive ions to my system..its a membrane protein 
> enveloped inside a solvent box..when i am running the genion command 
> for addition of 8 positive ions to the system, its showing an error " 
> your solvent group size (6173) is not a multiple of 11"...what does 
> this mean...??... how can i rectify this error??...plz help

genion has to remove solvent molecules (IIRC named SOL) from your 
system, but the contents of your [molecules] directive and/or coordinate 
file don't make sense to genion.

Mark