[gmx-users] how are you
Mark.Abraham at anu.edu.au
Thu Nov 1 06:37:06 CET 2007
zhuliang at tju.edu.cn wrote:
> 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.
More information is needed in order to actually help you.
> 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.
Well-formed PDB *is* accepted by GROMACS.
> At the same time, how to obtain the parameter of tobramycin in gmx opls
Start at the beginning... see
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