[gmx-users] Gro file does not match topology file... continue

Poncho Arvayo Zatarain poncho_8629 at hotmail.com
Fri Jan 27 17:45:15 CET 2017

Hello: according to the queshere abouttion and the answer send me here about gro (58674) file does not mtch with the topology (58666), i checked my gro file at the top corner on the left and said 58674, and at the end of the file the number of molecules is the same, 58674. i used TIP3 model and 2 phospholipids: 26 dppe and 230 dppe also 8960 of TIP3.
My top file is
: Include forcefield parameters
#include "toppar/charmm36.itp"
#include "toppar/compound.itp"
#include "toppar/DPPC.itp"
#include "toppar/DPPE.itp"
#include "toppar/TIP3.itp"

: Name

: Compound #mols
DPPE                230
DPPC                26
TIP3                  8960

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