[gmx-users] Inclusion of new parameter/input file

[btreece at andrew.cmu.edu]

Hello,

I would like to adapt gromacs (mdrun) to take a new input file with a flag
to indicate that it should perform an additional force calculation based
on parameters in the input file. The force calculation is straightforward,
but I have not been able to figure out how to have mdrun receive my input
from the command line and parse the file.

Any help would be appreciated,

Brad