[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
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> 


-- 
Kai Zhuang
BioMedical Engineering @ University of Toronto
kai dot zhuang at gmail dot com
kai.zhuang at gmail.com
6478314789



More information about the gromacs.org_gmx-users mailing list