Dear All,
I use the following to neutralize the charge
"genion -s ions.tpr -o 1AKI_solv_ions.gro -p topol.top -pname NA -nname CL -nn 8",
Then I do the following "grompp -f minim.mdp -c 1AKI_solv_ions.gro -p topol.top -o em.tpr"".
However the feedback says there is no Na (sodium) moleculetype.
I am looking forward to getting a reply from you on it, which is a fatal problem.
Cheers,
Wholly
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Received on Fri Mar 16 2012 - 23:00:02 PDT
