Hi all,
Recently I want to embed a force field ( Chem. Mater., 17 (23), 5658 -5669,
2005) in gmx. In the paper, It is said that the force field parameters are
consistent with GROMACS. The energy expression has a form as follows:
E= E(bond) + E(angle) + E(coulomb) + E(vdW)
Note
Bo Zhou wrote:
Hi all,
Recently I want to embed a force field (/ Chem. Mater.,/ *17* (23), 5658
-5669, 2005) in gmx. In the paper, It is said that the force field
parameters are consistent with GROMACS. The energy expression has a form
as follows:
E= E(bond) + E(angle) +
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