imat

This keyword can be used to load in the surface integral matrices previously generated by PB-SAM named as molmsphs.bin for molecule ID s and coarse-grained sphere s (see pbam-auto for more information). The syntax is:

imat {prefix}

where prefix is the filename prefix molmsph. The s.bin will be appended during the program run.

Todo

It would be better to generalize the READ input file section section of the input file rather than use the imat command. This command also needs to be cleaned up – it’s too fragile. Documented in https://github.com/Electrostatics/apbs-pdb2pqr/issues/495