Try a cell of 100 100 100 90 90 90 - SG P1
There are going to be a lot of bad VDW contacts in a 1A cell!
Eleanor
Yu Wai Chen wrote:
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Dear all,
I built a homology model with O and tried to refine it using idealize
mode in refmac. The default cell parameters are 1.0 1.0 1.0 90 90 90
and leads to refmac failing. What would be the best way to tell
refmac to ignore cell parameters and continue with refinement? Thanks.
Wai
Yu Wai Chen
King's Cellege London
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