[gmx-users] making .psf file based on .gro or .pdb

Chris Neale chris.neale at utoronto.ca
Wed Feb 18 01:26:18 CET 2009

Download charmm and run it to make your .psf. There are some examples on the charmm forum.
If you have further problems, you would be better to post to the charmm forum:

If you need to make a .psf and only have a .gro, then use "editconf -f a.gro -o a.pdb" and take a.pdb to charmm.

Perhaps you really mean .tpr (the gromacs version of the charmm .psf -- sort-of)? In that case, "pdb2gmx -h" and read the manual.

-- original message --

Dear all,

I am trying to make .psf file based on .gro or .pdb file with
information of atom bonds which is arbitrarily defined.

Could someone give me how to make .psf file?
(Should I make a original program for making .psf file?)


Hideya Nakamura
hideyanakamura at gmail.com <http://www.gromacs.org/mailman/listinfo/gmx-users>

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