[gmx-users] genconf

M.Naser mn2 at hw.ac.uk
Wed Aug 10 17:52:23 CEST 2005

> I am attempting to run multiple copies of a peptide which I have cut out
> from beta lactoglobulin. I have been told that the correct way off running
> multiple copies of a molecules is to utilise the genconf command with the
> number of copies I wish to use provided as an argument to the n box
> parameter
> Howeever when I run grompp on the outputted conf.gro file  I get this
> message
> processing coordinates...
> double-checking input for internal consistency...
> ERROR: One of the box vectors is shorter than twice the cut-off length.
> Increase
>  the box size or decrease rlist.
> Velocities were taken from a Maxwell distribution at 500 K
> There were 4 warnings
> Fatal error: There was 1 error
> However altering the rllist value in the mdp file or changing the box size
> has absolutely no effect

Probably your box size is not big enough.

> Thanking you in advance
> Saif
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