[gmx-users] problem in grompp -broken charge

Samik Bhattacharya samikbhat at yahoo.co.in
Thu Jun 18 12:51:59 CEST 2009

Justin, i have completed upto the genion step of that simulation. One error is creeping in this step which is nonzero system charge. my system is said to have a charge 1.69. now how to neutralize this kind of broken charge? another thing is that how this kind of broken chage is being developed? i think something was wrong in previous steps. but can't recognise which step to account for this anomalous behavior? waiting for your valuable suggestions...
Thanks again..

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