23 lines
917 B
Plaintext
23 lines
917 B
Plaintext
This package provides methods for performing free energy perturbation
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simulations with soft-core pair potentials in LAMMPS.
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See the doc page for the fix adapt/fep command to get started.
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There are example scripts for using this package in
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examples/PACKAGES/fep.
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There are auxiliary tools for using this package in tools/fep.
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The person who created this package is Agilio Padua at ENS de Lyon
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(agilio.padua at ens-lyon.fr)
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Contact him directly if you have questions.
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Pair style morse/soft was contributed by Stefan Paquay, s.paquay at tue.nl
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Applied Physics/Theory of Polymers and Soft Matter,
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Eindhoven University of Technology (TU/e), The Netherlands
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Contact him in case of problems with this pair style.
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Pair styles lj/class2/soft were contributed by Evangelos Voyiatzis at
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Technical University of Darmstadt (e.voyiatzis at theo.chemie.tu-darmstadt.de)
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Contact him in case of problems with these pair styles.
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