Changeset 94ca12 for util/src/CalculateMass.sh.in
- Timestamp:
- Oct 19, 2008, 1:56:29 PM (17 years ago)
- Children:
- d635bda
- Parents:
- b4c71a
- File:
-
- 1 edited
-
util/src/CalculateMass.sh.in (modified) (1 diff)
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util/src/CalculateMass.sh.in
rb4c71a r94ca12 3 3 # calculates mass of a molecule in a XYZ file 4 4 5 ELEMENTSDB=" /home/heber/workspace/ESPACK/bin/elements.db"5 ELEMENTSDB="@bindir@/elements.db" 6 6 7 7 if [ -z "$1" ]; then
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