[gmx-users] Coarse-Grain: GROMACS bond information to VMD

Mark Abraham Mark.Abraham at anu.edu.au
Thu Oct 22 00:39:38 CEST 2009

Baofu Qiao wrote:
> HI all,
> I have try the top2psf.tcl from Justin and the top2psf.pf from the VMD 
> website. But both of them can only deal with single chain system. Take 
> an example, if there are 10 proteins (+water) in my system,  how to 
> convert to topology of the total system to .psf file? I tried to append 
> the .psf. But VMD doesn't recognize the appended .psf file.

Find out how to generate a .psf using CHARMM/NAMD tools, then.


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