[gmx-users] MD simulations of flexible CO2

iskarmou at cc.uoa.gr iskarmou at cc.uoa.gr
Tue May 24 17:33:23 CEST 2005

My question is the following:
Concerning the MD simulation of fluid CO2, my problem is
to obtain information about the reliability of the Gromacs
software to use angle-bending potentials (in describing the
intramolecular interactions) in the case of LINEAR! molecules.
I. Skarmoutsos

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