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
> Howeever when I run grompp on the outputted conf.gro file I get this
> processing coordinates...
> double-checking input for internal consistency...
> ERROR: One of the box vectors is shorter than twice the cut-off length.
> 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
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
This e-mail message is subject to http://www.hw.ac.uk/disclaim.htm
More information about the gromacs.org_gmx-users