[gmx-users] Non-zero total charge

2011-09-01 Thread Munishika Kalia
Hi, My system had a no zero total charge: System has non-zero total charge: 6.30e+01 I used genion to neutralize the system by adding 6 CL ions. After updating the topology file, the system still seems to have the same problem. It still has a non-zero total charge: System has non-zero t

[gmx-users] Non zero total charge

2011-09-01 Thread Munishika Kalia
Hi, The genion command i used is genion -s genion.tpr -o ago_water_ions.gro -nn 6 I used this to add 6 CL ions and i got the following error:   System has non-zero total charge: 5.70e+01 So i should add another 5 CL ions to neutralize the system? Many thanks, Munishika -- gmx-users maili