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3dd30109

Commit 3dd30109 authored 9 years ago by Studer Gabriel

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add hydrogen bond term as described in FG-MD paper from Zhang

parent 0215bca3

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modules/mol/mm/pymod/export_topology.cc 46 additions, 0 deletions

modules/mol/mm/pymod/export_topology.cc
modules/mol/mm/src/system_creator.cc 60 additions, 0 deletions

modules/mol/mm/src/system_creator.cc
modules/mol/mm/src/topology.cc 132 additions, 0 deletions

modules/mol/mm/src/topology.cc
modules/mol/mm/src/topology.hh 67 additions, 2 deletions

modules/mol/mm/src/topology.hh

with 305 additions and 2 deletions

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