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

[Tasneem Kausar]

Increase your box size.

On 27 Jan 2017 22:15, "Poncho Arvayo Zatarain" <poncho_8629 at hotmail.com>
wrote:

>
>
> 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"
>
> [System]
> : Name
> Title
>
> [Molecules]
> : Compound #mols
> COMPOUND    72
> DPPE                230
> DPPC                26
> TIP3                  8960
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