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befa8f9e

Commit befa8f9e authored 7 years ago by Studer Gabriel

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fix bug in forcefield reading

This had an effect on the ASPP and GLUP residues in the CHARMM
forcefield. These residues are super rare, so most likely nobody
was affected.

parent c84a9dd4

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modules/mol/mm/src/AMBER03.dat 0 additions, 0 deletions

modules/mol/mm/src/AMBER03.dat
modules/mol/mm/src/CHARMM27.dat 0 additions, 0 deletions

modules/mol/mm/src/CHARMM27.dat
modules/mol/mm/src/ff_reader.cc 17 additions, 22 deletions

modules/mol/mm/src/ff_reader.cc
modules/mol/mm/tests/AMBER03.dat 0 additions, 0 deletions

modules/mol/mm/tests/AMBER03.dat
modules/mol/mm/tests/CHARMM27.dat 0 additions, 0 deletions

modules/mol/mm/tests/CHARMM27.dat

with 17 additions and 22 deletions

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