[gmx-users] .rtp files

Negar Parvizi negar.parvizi at yahoo.com
Thu Jun 19 23:01:53 CEST 2014

Dear Gromacs users;
I use Gromacs version 4.5.4. I finished protein-ligand complex tutorial(Dr.justin lemkul tutorial). Now i want to use my ligand. I am new in this field(charge group blocking). For getting an idea about charge group blocking, i check .rtp files.

cheking aminoacides.rtp files of gromos force field , it has ATP charge group blocking, but i didn't understand it and also i didn't find many of molecules ex. : TEMP, BA, RTOL, ... 

It would be greatly appreciated if anyone can help me in this field?


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