Created
January 18, 2016 09:33
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Center MD protein in PBC box with VMD
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| ###################################################################### | |
| ### Center multi-unit protein in pbc box with VMD | |
| ### Make sure you are in first frame of MD | |
| ###################################################################### | |
| # Join separate units for this first frame only | |
| pbc join connected -now | |
| pbc join residue -now | |
| # Join the protein for all MD | |
| pbc unwrap -sel "not waters" -all | |
| # Place the protein in the center of the box | |
| pbc wrap -centersel "not waters" -center com -compound residue -all |
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