emoltemplate for ESPResSo

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Input files for this example: espressocup.et , system.et

ESPResSo is a modular molecular dynamics program written in C++. It was designed specifically for molecular dynamics simulations of coarse-grained atomistic models used in soft-condensed-matter, physics, and biology. Emoltemplate is a general cross-platform text-based molecule builder for ESPResSo (using the TCL interface).

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Emoltemplate was adapted from moltemplate (a molecule builder for LAMMPS). While emoltemplate has the same features as the LAMMPS version, it has fewer examples, and it can be more difficult to use. (For example, popular force fields, such as GAFF or OPLS, have not yet been converted from ".lt" into emoltemplate ".et" format, and emoltemplate does not always print useful error essages .) As of 2016-12-06, the emoltemplate examples are in the beta stage of development. Please contact me at if you discover errors in these examples, or in the manual, or in emoltemplate itself.


Emoltemplate is free and is available under the terms of the open-source 3-clause BSD license:

February 06, 2017
Andrew Jewett