[gmx-users] why minimization stop so fast

[Albert]

Hi Justin:

  thanks for kind reply.
  Yes, there many atom clashes in CHARMM-GUI system, so I add very 
strong force on protein and ligands, and try to minimize the rest of the 
system....

do you have any idea how can I solve the issue and make it work?

thanks a lot
Albert


On 04/16/2013 07:09 PM, Justin Lemkul wrote:
> Your system has severe atomic overlap.  You have infinite force on 
> atom 23533.
>
> -Justin