[gmx-developers] atomtype in mdrun?

Fan Hao f.Hao at chem.rug.nl
Fri Jul 4 22:50:28 CEST 2003

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.

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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