Hi David:
thank you very much for such kind comments. I've figured out we have
to add ACE and NME into our PDB by ourselves and Amber can recognize
them if the name is consist with chapter 'preparation for structure'
mentioned in the manual.
best
Albert
On 05/11/2012 01:52 PM, David A Case wrote:
> Depends on what you want to do. Generally, MD simulations start from an
> initial structure represented by a PDB file. As long as ACE and NME are in
> the pdb file, you should be fine.
>
> ...dac
>
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Received on Fri May 11 2012 - 07:00:03 PDT
