Add and document new max_warn flag for gromp on modern gromacs inst… #5
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grompp has had
-maxwarnsince at least 4.5 (the earliest readily available documentation I could find), this change adds amax_warnoption toINPUT.datthat applies to allgmx gromppcalls I could find. A default of 3 has been applied though this could easily be modified.Fixes #2
N.B untested so marked as draft for the time being