Dear all, Does any know why g_hbond does not (at least in a straightforward way) enable the calculation of hbonds involving sulfur atoms (e.g. between cysteines and other residues)? Is there an easy way to tell gromacs to consider sulfur a donor and acceptor atom?
Thanks in advance Diana Lousa -- Diana Lousa PhD student Protein Modeling Laboratory ITQB/UNL Oeiras, Portugal
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