I'm reviewing my old tutorials, trying to update them, if possible, and
came across an enigmatic comment I did several years ago:
$AMBERHOME/dat/leap/parm/frcmod.parmbsc0: fixed CI mass to 12.01
I'm wondering what was the old value and when that change happened because
I can see in AmberTools20 this is now CI mass 12.01, see:
head $AMBERHOME/dat/leap/parm/frcmod.parmbsc0
modifies parm99 for nucleic acids: see http://mmb.pcb.ub.es/PARMBSC0/
MASS
CI 12.01
BOND
CI-H1 340.0 1.090
...
BTW, I know BSC0 was not developed by Amber but link
http://mmb.pcb.ub.es/PARMBSC0/ is not alive anymore.
Thanks in advance,
--
Alan Silva
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Received on Sat Feb 06 2021 - 00:30:02 PST
