[gmx-users] gromacs 4.5 tools for trajectory analysis

Justin A. Lemkul jalemkul at vt.edu
Fri Sep 9 22:19:55 CEST 2011

Hasan haska wrote:
> Dear gromacs users,
> I loaded my .psf and then loaded .pdb file into psf  in VMD then used 
> the command “ topo writegmxtop myfile.top” in tk console. I finally 
> generated a gromacs .top file successfully. I want to use gromacs 4.5 
> tools for trajectory analysis with namd dcd and pdb files. But how can I 
> generate a gromacs tpr file using this .top file ? Can you please give 
> me the information about generating tpr file ? 

Please read the manual and the many tutorials on the Gromacs website.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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