If the PDB file has a CRYST1 record, then there is a box, and it is
converted to GRO format by pdb2gmx.
Tsjerk
On Tue, Oct 28, 2014 at 6:46 PM, Mark Abraham
wrote:
> Probably. Try a differently sized molecule ;-)
>
> Mark
>
> On Tue, Oct 28, 2014 at 5:58 PM, Agnivo Gosai
> wrote:
>
> > Dear Us
Probably. Try a differently sized molecule ;-)
Mark
On Tue, Oct 28, 2014 at 5:58 PM, Agnivo Gosai
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 editc
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 f
