[gmx-users] why minimization stop so fast
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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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