Re: [AMBER] About changes in frcmod.parmbsc0

From: David A Case <>
Date: Sat, 6 Feb 2021 08:25:31 -0500

On Sat, Feb 06, 2021, Thomas Cheatham III wrote:
>However, I think the mass of carbon atoms has not changed in recent years.

You young-uns don't know the meaning of "recent" :-) Mass of carbon changed
just 60 years ago, when carbon-12 was chosen as the standard for atomic

Amber also doesn't make it easy to change atomic masses even when comparing
to NMR experiments done with uniform C-13 labeling. Now that all our
predictions are accurate to within +/- 1%, this is probably the biggest
remaining source of error.


AMBER mailing list
Received on Sat Feb 06 2021 - 05:30:03 PST
Custom Search