回复： [gmx-users] No such moleculetype Na

[yp sun]

The name of ion is different when using different force field You can check which field force you use and find out how Na and Cl ion is written in this force field.

Yeping Sun
CAS Key Laboratory of Pathogenic Microbiology & Immunology
INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES 
NO.1 Beichen West Road,Chaoyang District,Beijing 100101,china

--- 11年12月11日，周日, Setare Jiji <jj.64fhony at yahoo.com> 写道：


发件人: Setare Jiji <jj.64fhony at yahoo.com>
主题: [gmx-users] No such moleculetype Na
收件人: gmx-users at gromacs.org
日期: 2011年12月11日,周日,下午5:17











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 highly appreciated.


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