[gmx-users] Numbering coordinate file
Mihaela Drenscko
quo.physics at gmail.com
Mon Jun 23 01:36:51 CEST 2014
Hello:
I have the following instruction about numbering a coordinate file:
Coordinate files must be numbered consecutively from 1.
This is how the beginning of my file looks like:
CRYST1 100.000 100.000 138.256 90.00 90.00 90.00 P 1 1
ATOM 1 N POPC 0 -22.909 46.347 20.916 0.00 0.00
L11
ATOM 2 C12 POPC 0 -23.126 45.394 19.735 0.00 0.00
L11
It looks like I started numbering at 1, but I get an error:
"file does not have the number of atoms on the second line"
What does it mean? How do I fix it?
Thank you,
Mihaela
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