MDP write mangles strings
richardjgowers opened this issue · comments
Roundtripping an mdp doesn't work well, for example:
integrator = c g
emtol = 500
emstep = 0.01
nsteps = 1000
nstcgsteep = 100
constraints = n o n e
nstcomm = 1
cutoff-scheme = V e r l e t
vdwtype = c u t o f f
coulombtype = P M E
Unless this is a d e s i g n c h o i c e?