ACPYPE - AnteChamber PYthon Parser interfacE.
Published in BMC research notes • Jul 23, 2012
Authors:,
Alan W Sousa da Silva
Wim F Vranken
Abstract
BACKGROUND: ACPYPE (or AnteChamber PYthon Parser interfacE) is a wrapper script around the ANTECHAMBER software that simplifies the generation of small molecule topologies and parameters for a variety of molecular dynamics programmes like GROMACS, CHARMM and CNS. It is written in the Python programm...
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