VMD-L Mailing List

From: Alexander Balaeff (abalaeff_at_gmail.com)
Date: Wed Aug 13 2014 - 10:59:22 CDT

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.