sponge

This option controls the details of calling Sponge molecular dynamics (MD) simulation program.

This function is only available in GPU version.

mdin

Value	A file name
Default	None

The MD parameter file name for Sponge.

amber_parm7

Value	A file name
Default	None

The topology and force field parameters of the system in AMBER format.

amber_rst7

Value	A file name
Default	None

The initial coordinates of the system in AMBER format.

mdout

Value	A file name
Default	None

The MD simulation log.

rst

Value	A file name
Default	None

The output coordinate system.

crd

Value	A file name
Default	None

The output MD trajectory.