[gmx-users] genconf

[M.Naser]

> 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
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.



__________________________________________________________________

DISCLAIMER:

This e-mail message is subject to http://www.hw.ac.uk/disclaim.htm
__________________________________________________________________