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[lammps-users] unreacted force field for MD simulation of HMX
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[lammps-users] unreacted force field for MD simulation of HMX


From: WangGuangyu <wanguc2011@...8...>
Date: Tue, 2 Jun 2015 22:20:38 -0400

Hello there,
I am currently studying the properties of HMX (including C H N O) using LAMMPS. I need a unreacted force field to perform MD simulation. Does anybody have any idea that if LAMMPS has such force field? I found a paper on unreacted force field of RDX (title: Nonreactive molecular dynamics force field for crystalline hexahydro-1,3,5-trinitro-1,3,5 triazine). I don 't know if it has been included in LAMMPS. Thanks for your response!
Guangyu