On Mon, Jul 20, 2015, Ye Renlo wrote:
> We're using AmberTools13.26 and we find that the atomic number for GAFF
> atom type cl is 6 rather than 17 in prmtop file,
> which was reported by other users before in the mail list. Has this error
> been fixed in the latest release of AmberTools(version 14 or 15)?
I'm pretty sure this has been fixed. There are *lots* of improvements in
AmberTools compared to version 13, and all users are encouraged to move to
AmberTools15.
....dac
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Received on Mon Jul 20 2015 - 08:00:02 PDT
