[gmx-users] minimization

Mark Abraham Mark.Abraham at anu.edu.au
Wed Aug 5 09:29:03 CEST 2009

Morteza Khabiri wrote:
> Dear users
> I want to minimized a dimer protein but at the first step it start to
> explosion. I tried to decrease the dt but it is not working. the protein
> is in the high energy level. Is there any suggestion how to minimized such
> a high energy level protein??

There are suggestions for dealing with broken exploding structures here: 


More information about the gromacs.org_gmx-users mailing list