VMD-L Mailing List
From: Alexander Balaeff (abalaeff_at_gmail.com)
Date: Wed Aug 13 2014 - 10:59:22 CDT
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Dear VMD gurus:
Could anyone kindly advise me on the right way to read a PSF file
where the atom types are longer than the classical 4 characters? (for
example, the 5- and 6-letter atom types produced by CGenFF) The
default PSF reader in VMD is apparently column-based so when the
nonstandard PSFs are read, the atomic charges are read incorrectly. Is
there a flag in VMD or the mol command, or maybe a separate plugin,
that would allow one to read the PSFs with CGenFF types?
Thanks a lot,
Alexander.
- Next message: Vlastimil Zíma: "Re: Persistent troubles with tk fonts"
- Previous message: Josh Vermaas: "Re: Persistent troubles with tk fonts"
- Next in thread: Josh Vermaas: "Re: Reading PSF files with longer than 4-letter atom types"
- Reply: Josh Vermaas: "Re: Reading PSF files with longer than 4-letter atom types"
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