Dear Gromacs users:<br>
<br>
I am trying to use the Cholesterol topology file uploaded by <font size="-1">Monika Hoeltje on the Gromacs server, and have a few questions: <br>
<br>
In the "cholesterol.itp" file, it writes:<br>
<br>
[ atoms ]<br>
; nr type resnr
residu atom cgnr
charge ; total charge<br>
1
CH3 1
CHOL
C1 1 0<br>
2
CB 1
CHOL
C2 2 0<br>
...<br>
...<br>
[ bonds ]<br>
; ai aj
funct
c0 c1<br>
1 2
1
0.153 334720.<br>
2 3
1
0.153 334720.<br>
3 4 1<br>
4 5 1<br>
5 6 1<br>
....<br>
....<br>
<br>
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?<br>
<br>
Thanks a lot.<br>
<br>
sincerely,<br>
<br>
Rui<br>
<br>
<br>
<br>
<br>
<br>
</font><br>
<br>