[gmx-users] The last line in a .gro file

[Mark Abraham]

Probably. Try a differently sized molecule ;-)

Mark

On Tue, Oct 28, 2014 at 5:58 PM, Agnivo Gosai <agnivogromacs14 at gmail.com>
wrote:

> Dear Users
>
> The last line of the .gro file lists out three co-ordinates and the GROMACS
> manual says that these are the box vectors : v1(x) , v2(y) and v3(z)
> Now , before using editconf to place our molecule inside a box , there is
> no box associated with the system.
> But pdb2gmx generates this .gro file having the vectors listed in the last
> line.
>
> My question is :- Is the last line has to do anything with the "size" of
> the molecule ?
>
> Thanks & Regards
> Agnivo Gosai
> Grad Student, Iowa State University.
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