[gmx-users] Convert .psf to .top

francesco oteri francesco.oteri at gmail.com
Wed Dec 26 17:31:18 CET 2012

in vmd there is a package called topotools (
This package has the magic command writegmxtop.
Be carefull 'cause the created .top might miss some information (tipically
angles and dihedrals)
so I advice you to carefully check the .top file.


2012/12/26 Kieu Thu Nguyen <kieuthu2212 at gmail.com>

> Dear All,
> Are there any method that can convert CHARMM PSF files to Gromacs topology
> files ?
> Thank for any help !
> Best regards,
> KT
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Cordiali saluti, Dr.Oteri Francesco

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