[gmx-users] ffamber99.hdb
Mark Abraham
mark.abraham at anu.edu.au
Mon Mar 14 11:04:17 CET 2011
On 14/03/11, Yulian Gavrilov <zzeppelin87 at 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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