[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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