Description

Helper struct for PP-PME communication of parameters.

Public Attributes
int	natoms
	Number of atoms.

matrix	box
	Box.

int	maxshift_x
	Maximum shift in x direction.

int	maxshift_y
	Maximum shift in y direction.

real	lambda_q
	Free-energy lambda for electrostatics.

real	lambda_lj
	Free-energy lambda for Lennard-Jones.

int	flags
	Control flags.

gmx_int64_t	step
	MD integration step number.


ivec	grid_size
	Used in PME grid tuning.

real	ewaldcoeff_q

real	ewaldcoeff_lj

The documentation for this struct was generated from the following file:

Public Attributes