[gmx-users] number of coordinates in coordinate file does not match topology

Jonathan Saboury jsabou1 at gmail.com
Sun Jul 20 05:46:10 CEST 2014


Hello,

I am getting an error:
"Fatal error:
number of coordinates in coordinate file (alb-b4ion.pdb, 192933)
             does not match topology (alb.top, 201977)"

Number of SOL/water molecules was done automatically, so not sure why .top
is not matching the .pdb.

Here are the commands used: http://pastebin.com/raw.php?i=de9a8PtR

This happens to both 1AO6 and 1BM0 on http://www.rcsb.org

Any help would be much appreciated, Thank you!

-Jonathan Saboury


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