[gmx-developers] trjconv defaults

[David Osguthorpe]

> 
> I can't even count how many times there are e-mails on the users list
> where people complain that their ligand doesn't stay bound to the
> protein; usually it's pbc problems. (Perhaps it's a good idea to
> actually put a suggestion relating to this in the documentation?)
> 

Id also like to second this - the right magic trick to get ligands
to be in their binding site is somtimes quite complicated
- cluster has worked for me but also gets into an infinite loop sometimes
- Im still running 3.3.1 to maintain numerical consistency - ie.
I can reproduce trajectories at the binary level

David