[gmx-users] genion doesn't work in 4.6.1?

[Albert]

On 04/05/2013 09:09 PM, Warren Gallin wrote:
> Don't you have to give tyne name of the positive and negative ions that will be added by genion?  Otherwise, how would it know?
>
> Warren Gallin

No, it doesn't work either:

genion_mpi -s ions.tpr -o solv_ions.gro -p complex.top -neutral 
-norandom -pname NA -nname CL

or

genion_mpi -s ions.tpr -o solv_ions.gro -p complex.top -neutral 
-norandom -pname NA -pq 11

Reading file ions.tpr, VERSION 4.6.1 (single precision)
Using a coulomb cut-off of 1.2 nm
No ions to add and no potential to calculate.