vermouth.gmx.rtp module¶

Handle the RTP format from Gromacs.

vermouth.gmx.rtp.read_rtp(lines, force_field)[source]¶

Read blocks and links from a Gromacs RTP file to populate a force field

Parameters:

lines (collections.abc.Iterator) – An iterator over the lines of a RTP file (e.g. a file handle, or a list of string).
force_field (vermouth.forcefield.ForceField) – The force field to populate in place.

Raises:

IOError – Something in the file could not be parsed.