[gmx-users] why minimization stop so fast

Justin Lemkul jalemkul at vt.edu
Tue Apr 16 19:28:07 CEST 2013

On 4/16/13 1:13 PM, Albert wrote:
> 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?

Create a more physically reasonable starting structure.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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