[gmx-users] atom names in ffbonded.itp (oplsaa.ff)

2011-10-18 Thread mu xiaojia
Dear gmx-users, Does anyone know where can I find any explanations about the atom names in ffbonded.itp file in oplsaa.ff? I am trying to compare the amino acids' parameters in gromacs 4.5.4 with in tinker. Or where to find the default parameters gromacs takes for amino acids in its

Re: [gmx-users] atom names in ffbonded.itp (oplsaa.ff)

2011-10-18 Thread Mark Abraham
On 19/10/2011 3:50 PM, mu xiaojia wrote: Dear gmx-users, Does anyone know where can I find any explanations about the atom names in ffbonded.itp file in oplsaa.ff? I am trying to compare the amino acids' parameters in gromacs 4.5.4 with in tinker. Or where to find the default parameters