lammps/tools/moltemplate/common/tip3p_attemptsc1b6654dbc9crunner
lammps/tools/moltemplate/common/tip3p_attempts
c1b6654dbc9crunner
tip3p_attempts
tip3p_attempts
README.TXT
README.TXT
This directory contains two LT files corresponding to
different versions of TIP3P:
tip3pcharmm.lt # The implementation of TIP3P used by CHARMM (I think).
tip3p2004.lt # The newer Price & Brooks, J. Chem Phys 2004 model
# which uses long-range coulombics
I have not tested these files so I moved them here.
(If you have tested these files, and they work, or if you have other comments
or suggestions, feel free to email me at jewett.aij at gmail dot com.)
Andrew
2012-10-20
different versions of TIP3P:
tip3pcharmm.lt # The implementation of TIP3P used by CHARMM (I think).
tip3p2004.lt # The newer Price & Brooks, J. Chem Phys 2004 model
# which uses long-range coulombics
I have not tested these files so I moved them here.
(If you have tested these files, and they work, or if you have other comments
or suggestions, feel free to email me at jewett.aij at gmail dot com.)
Andrew
2012-10-20
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