[gmx-users] RE[2]: Dealing with residues not in the topology database

[Vitaly Chaban]

>  have read of previous
>>> posts, creating a new *.itp file is rather complicated and not
>>> recommended for new users.

It's not so difficult as you can think after the first look :)
See the .itp files for water, methanol, DMSO, etc in your gromacs
directory (/tops) for reference.

Also, tutorial for the syntax of .itp files as you were already advised.

Good luck.

-- 
Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svobody sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban