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Fixed typo

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1 parent c363eba commit 3a3de19ca7b8674d7fca7072c3250da6e14d875d @ParkerdeWaal committed on GitHub Aug 9, 2016
Showing with 1 addition and 1 deletion.
  1. +1 −1 README.md
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@@ -63,7 +63,7 @@ Copy [POPC.csv](/includes/POPC.csv) to the working folder and run the following
```bash
awk 'BEGIN {w=1;l=0} /SPC/{printf("%4s %6d %-4s %-4s %5d %9.3f %7.3f %7.3f 1.00 0.00\n"), $1, $2, $3, "WAT", w,$6,$7,$8; l++} {if(l % 3 == 0) w++;} !/SPC/{print $0}' desmondOut.pdb > waterFix.pdb
-awk '{if ($4 == "ACE" && $3 != "C") next; else print $0}' WATfix.pdb > ACEfix.pdb
+awk '{if ($4 == "ACE" && $3 != "C") next; else print $0}' waterFix.pdb > ACEfix.pdb
awk '{if ($4 == "NMA" && $3 != "N") next; else print $0}' ACEfix.pdb | sed 's/NMA/NME/' > NMEfix.pdb
charmmlipid2amber.py -c POPC.csv -i NMEfix.pdb -o LipidFix.pdb
sed 's/CL/Cl-/' LipidFix.pdb | sed 's/NA/Na+/' | sed 's/ CL/Cl-/' | sed 's/ NA/Na+/' > SaltFix.pdb

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