[gmx-users] The last line in a .gro file
mark.j.abraham at gmail.com
Tue Oct 28 18:46:13 CET 2014
Probably. Try a differently sized molecule ;-)
On Tue, Oct 28, 2014 at 5:58 PM, Agnivo Gosai <agnivogromacs14 at gmail.com>
> 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
> 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.
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users