[gmx-users] coarse grain topology file

Mark Abraham mark.abraham at anu.edu.au
Sun Mar 25 06:57:11 CEST 2007


> Hi,everyone,I put forward the question yesterday.
> When I run the simulation, the system always echo
> "Fatal error: number of coordinates in coordinate file (conf.gro, 12032)
> does not match topology (topol.top, 0)".
> Mr Abraham has pointed out maybe there is something wrong with the
> topol.top file.
> Now I put the topol.top here:

As I suggested, your topology format is wrong. Please read page 98 of the
manual, and reconsider the location of your [molecules] section

Mark




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