Dear gromacs developers, I would like to know what is the unity for armonic constraint in ffbonded.itp. In the user manual (Table 5.4) it is written that is kJ mol-1 nm-2 but in the .itp file I read "C C 1 0.1525 259408.0 ; new99"
I understand that 0.1525 is the equlibrium distance 5in nm) but 259408.0 KJ it is almost high. Maybe the right value is 259408.0 J ? Francesco
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