Hi,
I am running Tutorial 1: Lysozyme in Water.
I used 4-0-7 version and the sequence is true but in minimization energy step,I
have this fatal error:
No such moleculetype Na
so,what do I do?
Best regards
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Hi,
Thanks for your responding.
I checked my ions.itp file in which file sodium and chlorine ions are as Na and
Cl form.
Thus, I used genion as follows:
genion -s ions.tpr -o 1AKI_solv_ions.gro -p topol.top -nname Cl -nn 8 -pname Na
Unfortunately, I encountered same fatal error.
any help will
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