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