[gmx-users] Help with topology file
Alexandre Suman de Araujo
asaraujo at if.sc.usp.br
Thu Mar 20 19:50:31 CET 2003
Hi Gmxers
I'm building a topology file using oplsaa force fields parameters. I
used the atoms type from ffoplsaa.atp, then the begining of my topology
file is like this:
[ atoms ]
; nr type resnr resid atom cgnr charge
1 opls_140 1 DRG H20 1 0.000
2 opls_140 1 DRG H21 2 0.000
3 opls_140 1 DRG H22 3 0.000
4 opls_135 1 DRG C60 4 0.000
... and it goes on...
Well, my question is: I need, in my topology file, of the sessions
[bond], [angles], etc??? Or these parameters is automatically got from
ffoplsaabon.itp, since I put #include "ffoplsaa.itp" statment in my
topology file?
Thanks for the help and waiting answers.
--
Alexandre Suman de Araujo
asaraujo at if.sc.usp.br
UIN: 6194055
IFSC - USP - São Carlos - Brasil
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