[gmx-users] pdb2gmx problem

Daniela S. Mueller D.S.Mueller at rug.nl
Tue Mar 28 08:58:15 CEST 2006


that's because your input-file was already in gro-format. use a pdb-file
and you will get the options. 


On Tue, 2006-03-28 at 11:30 +0800, Rongliang Wu wrote:
> Hello, gmx-users,
> 	when i added the appropriate terms to the .tdb file, i used "pdb2gmx -f .gro -ter" it didnot tell me to select the terminal groups, and the generated .top file has no connection between residues and the terminal groups are not changed. why?
> Regards
> Thanks
>         Rongliang Wu
>         wurl04 at iccas.ac.cn
>           2006-03-28


Daniela S. Mueller

biologist (Diplom, German degree)

- Molecular Dynamics Group, UQ -

School of Molecular and Microbial Sciences (SMMS)
Chemistry Building (#68)
University of Queensland
Qld 4072, Brisbane

Phone: +61-7-33653732

Website: http://ilc00f.facbacs.uq.edu.au/SMMS/a_mark/Front.htm


- MD group, RuG -

Molecular Dynamics
Dept. of Biophysical Chemistry
University of Groningen
Nijenborgh 4
9747 AG Groningen
The Netherlands

Website: http://www.rug.nl/gbb/md

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