[gmx-users] Question about embedding a force field with no torsion term

2007-11-21 Thread Bo Zhou
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

Re: [gmx-users] Question about embedding a force field with no torsion term

2007-11-21 Thread Mark Abraham
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) +