Hi everyone,
I am new to Amber, and I would like to ask a question that might sounds silly to you.
What does the second numeric column mean? I know the first column mean atomic mass, but I couldn’t find anything about the second.
E.g. What does 0.616 mean for atom type c in the following segment?
AMBER General Force Field for organic molecules (Version 1.8, Mar 2015)
c 12.01 0.616 Sp2 C carbonyl group
c1 12.01 0.360 Sp C
c2 12.01 0.360 Sp2 C
c3 12.01 0.878 Sp3 C
ca 12.01 0.360 Sp2 C in pure aromatic systems
cp 12.01 0.360 Head Sp2 C that connect two rings in biphenyl sys.
cq 12.01 0.360 Head Sp2 C that connect two rings in biphenyl sys. identical to cp
cc 12.01 0.360 Sp2 carbons in non-pure aromatic systems
cd 12.01 0.360 Sp2 carbons in non-pure aromatic systems, identical to cc
ce 12.01 0.360 Inner Sp2 carbons in conjugated systems
cf 12.01 0.360 Inner Sp2 carbons in conjugated systems, identical to ce
cg 12.01 0.360 Inner Sp carbons in conjugated systems
ch 12.01 0.360 Inner Sp carbons in conjugated systems, identical to cg
cx 12.01 0.360 Sp3 carbons in triangle systems
cy 12.01 0.360 Sp3 carbons in square systems
cu 12.01 0.360 Sp2 carbons in triangle systems
Thank you very much!
Zhu
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Received on Sat Nov 14 2020 - 10:00:02 PST
