[gmx-developers] How to create a new resides topology file in gromacs?

huifang liu huifangliu1985 at gmail.com
Thu Jul 9 11:22:02 CEST 2009

Hello gmx-user,

I am using gromacs-3.3.1 and GROMOS force field. In my MD, i need to add a
new residue in gromacs top file. I think i can achieve this task by editting
ffG43a1.rtp, ffG43a1.hdb, ffG43a1.itp, ffG43a1nb.itp and ffG43a1bon.itp.
However, I think the format of GROMOS file i get is completely different
from the ffG43a1 files. So, is there any one here who can help me?

Thank you very much!

Best wishes.


Huifang Liu (Ph.D. Student)
School of Pharmacy
Fudan University

No.826 Zhang Heng Rd.  Shanghai, China, 200032
Tel: (86-21)51980010 (O)    Cell phone: +86-13764669357
E-mail: huifangliu1985 at gmail.com    Fax: (86-21)51980010
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