[gmx-users] ffamber99.hdb

2011-03-14 Thread Yulian Gavrilov
Dear gromacs users, Please, can you explain the structure of *ffamber99.hdb *file* *For example, LYN7 11HN-CCA 15HACANCBC 26HBCBCACG 26HGCGCBCD 26HDCDCGCE 26HECECDNZ 2

Re: [gmx-users] ffamber99.hdb

2011-03-14 Thread Mark Abraham
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   

Re: [gmx-users] ffamber99.hdb

2011-03-14 Thread Alexey Shvetsov
Hi, How to write your hdb block is described in chapter 5.6.4 of gromacs-4.5.3 manual On Mon, 14 Mar 2011 11:58:17 +0200, Yulian Gavrilov 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