[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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