Thank you very much Stephan!!
> On Nov 14, 2020, at 11:46 AM, Stephan Schott <schottve.hhu.de> wrote:
>
> Hi Zhu,
> You can find most information regarding file formats here:
> https://ambermd.org/FileFormats.php
> In this particular case it refers to the atom polarizability used in some
> FFs.
> Cheers,
>
> El sáb., 14 nov. 2020 a las 18:38, Zhu Liang (<zliang8.uic.edu>) escribió:
>
>> 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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>>
>
>
> --
> Stephan Schott Verdugo
> Biochemist
>
> Heinrich-Heine-Universitaet Duesseldorf
> Institut fuer Pharm. und Med. Chemie
> Universitaetsstr. 1
> 40225 Duesseldorf
> Germany
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Received on Sat Nov 14 2020 - 11:00:02 PST
