[gmx-users] g_energy -fee -inf problem

[Mark Abraham]

Naser, Md Abu wrote:
> Hi Mark,
> 
> The reacton shuld occur as: R-S-S-R + 2H+ -----> 2R-SH.

So at the very least, your "after" topology will need to have these 
hydrogens... You can't just cleave the S-S bond out of the .top and 
expect it to work.

Mark