[gmx-users] program crashed

[Mark Abraham]

Dongsheng Zhang wrote:
> Mark,
> 
> Thank you for your reply. EM works fine before position-restrained MD.
> Do you have any other suggestion besides to reduce the number of water
> inside the nanotube? Thanks!

You could edit vdwradii.dat in the gromacs/share/top directory to give 
either the water atoms or nanotube atoms more bulk for genbox - see man 
genbox for a few details.

Mark