[gmx-users] Adding ion to equilibrated system using genion...
bmbbl at bmb.leeds.ac.uk
Tue Mar 1 19:37:19 CET 2005
I ran hundreds of ps equilibrium simulation on the system with the input file:
'eqb.tpr' and the equilibrated configuration output from mdrun is 'eqb.gro'
Now I want to add an ion to 'eqb.gro' using genion. Certainly 'eqb.gro'
couldnt be taken as the input to genion. The only input for genion is
My question is that because eqb.tpr only contains the configuration before the
equilibrium, is it really correct that applying this file to generate an
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