[gmx-users] question on Cholesterol topology file
Jim (Rui) Qiao
ruiqiao at gmail.com
Wed Oct 19 15:25:31 CEST 2005
Dear Gromacs users:
I am trying to use the Cholesterol topology file uploaded by Monika Hoeltje
on the Gromacs server, and have a few questions:
In the "cholesterol.itp" file, it writes:
[ atoms ]
; nr type resnr residu atom cgnr charge ; total charge
1 CH3 1 CHOL C1 1 0
2 CB 1 CHOL C2 2 0
...
...
[ bonds ]
; ai aj funct c0 c1
1 2 1 0.153 334720.
2 3 1 0.153 334720.
3 4 1
4 5 1
5 6 1
....
....
It is noticed that the some parameters under [bonds] are not given. What
does this mean? How will gromacs know where to look for these parameters?
Thanks a lot.
sincerely,
Rui
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