[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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