[gmx-users] what is the atom type CHE
Kai Zhuang
kai.zhuang at gmail.com
Fri Jul 8 15:41:21 CEST 2005
if memory serves...
ffgmx force field compress carbon and hydrogen into one unit sometimes.
so my slightly educated guess is CHE = CE with an H attached.
On 7/8/05, Makoto Yoneya <yoneya at nanolc.jst.go.jp> wrote:
> Dear GROMACS users:
>
> In the ffgmxnb, there are some atom type entries that are not in
> the GROMACS manual.
> I'm especially wondering the atom type CHE.
> It looks like some bare carbon atom type from its mass.
> Please tell me for what this CHE atom types should be used.
> Sorry if it is FAQ or somewhere described
>
> Thank you for advance.
>
> Makoto Yoneya, Dr.
> Liquid Crystal Nano-system Project,
> Japan Sci. & Tech. Agency
>
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--
Kai Zhuang
BioMedical Engineering @ University of Toronto
kai dot zhuang at gmail dot com
kai.zhuang at gmail.com
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