[gmx-users] bonded pairlist
Fan Hao
f.Hao at chem.rug.nl
Wed May 21 19:15:01 CEST 2003
Hello, gmx developers:
I want to make sure about my understanding of bonded pairlist
in gmx. I think for bond stretching, angle, dihedral and improper
dihedrals, gmx put the first, second and third neighbour lists
in t_iatom type array, is it true? Also I hope to know what identifier
was used to recognise different interations. For example, How can I
get the 1-4 interaction neighbourlist?
Thanks a lot in advance!
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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