[gmx-users] No such moleculetype Na

2011-12-10 Thread Setare Jiji
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 -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/lis

[gmx-users] No such moleculetype Na

2011-12-11 Thread Setare Jiji
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