[gmx-users] g_hbond and hydrogen bonds involving sulfur

Diana Lousa dlousa at itqb.unl.pt
Thu Oct 15 15:37:33 CEST 2009

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
Oeiras, Portugal
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