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

Kirill Bessonov kbessonov at gmail.com
Fri Jul 17 18:24:22 CEST 2009

I have written a C++ program that can do it for you in 5 minutes. If you
interested I can send you link to executable.

It counts #of solute molecules and #Na+ and Cl- ions plus DMPC, but I can
adjust it so it can count any number of molecules, I need to know how many
atoms per molecule and it reads gro file now, I do not work with pdb, but if
needed I can do it form pdb too.
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