[gmx-developers] atomtype in mdrun?

[David]

On Fri, 2003-07-04 at 22:50, Fan Hao wrote:
> Hi, all:
> 	I am not sure but I think the atomtype number in 
> top->atoms.atom[i].type is the sequence number for this atomtype
> appear in topology file. I am wondering whether it is a way 
> to have the G96 atomtype number for each atom in MD simulation?
> Any hints will be sincerely appreciated.
there's a grompp option -norenum
> 
> Best regards
> 
> Yours sincerely
> 
> Hao Fan :-)
> 
> -------------------------------------------------------------------------
> Drs. Hao Fan                            email F.Hao at chem.rug.nl
> Lab. of Biophysical Chemistry
> University of Groningen
> Nijenborgh 4                            9747 AG GRONINGEN
> The Netherlands
> -------------------------------------------------------------------------
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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