[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 :-)
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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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