On 14/03/11, Yulian Gavrilov <zzeppeli...@gmail.com> wrote: > > Dear gromacs users, > Please, can you explain the structure of ffamber99.hdb file > > For example, > LYN 7 > 1 1 H N -C CA > 1 5 HA CA N CB C > > 2 6 HB CB CA CG > 2 6 HG CG CB CD > 2 6 HD CD CG CE > 2 6 HE CE CD NZ > 2 3 HZ NZ CE CD > > >
What is not clear in the explanation of the hydrogen database in chapter 5 of the manual? Mark
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