[gmx-users] how are you

[zhuliang at tju.edu.cn]

Sir:
    How are you! I am a new user of gmx.At first,sincere tribute to you and all
the gmx developers!
    I want to perform a molecular dynamics simulation on the tobramycin aqueous
soluton by gmx. On the simulation process,I encounter some problem and I can't
treat  with it by myself and I hope you will give me a hand.
    Tobramycin is a aminoglycosidic substance, Its pdb file is not availabe in the
PDB bank, so I generate it with a comercial software Material studio. but it is
not in consistent with gmx command of pdb2gmx. I want to know how can I deal with
it and it the other way to generate a pdb file of tobramycin in gmx format.
    At the same time, how to obtain the parameter of tobramycin in gmx opls
format?
    Thank you and I am looking forward to hearing from you soon!

Best wishes
zhuliang    




------------------------------
Dr.Liang Zhu  
Department of Chemical Engineering 
School of Chemical Engineering and Technology 
Tianjin University Tianjin, 300072 P. R. China 

Tel: +86-22-27405754 Fax:+86-22-27374971