[gmx-users] Top file modification

Shima Arasteh shima_arasteh2001 at yahoo.com
Tue Mar 19 18:07:24 CET 2013



 Dear users,

I modified my top file, because I didn't want some bonds. So I deleted them and changed charges on some atoms. 
I want to go on with such a top file, however I am not sure that these changes are implemented properly or not. Would you please let me know if what I did is right or not?

And how would I be sure about the proper modifications?

Thanks in advance for all your beneficial suggestions.

Sincerely,
Shima



More information about the gromacs.org_gmx-users mailing list