[gmx-users] why minimization stop so fast
mailmd2011 at gmail.com
Tue Apr 16 19:13:01 CEST 2013
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
do you have any idea how can I solve the issue and make it work?
thanks a lot
On 04/16/2013 07:09 PM, Justin Lemkul wrote:
> Your system has severe atomic overlap. You have infinite force on
> atom 23533.
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