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Originally posted by qasd at 2008-12-29 19:55:
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@echo on
cd D:\"Untitled Files"\Documents\"1 DMol3 Energy"
call C:\"Program Files"\Accelrys\"MS Modeling 4. ...

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1 DMol3 Energy
2 DMol3 Energy
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RunDMol3 -np 2 2
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3Â¥2008-12-30 10:05:49
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@echo on
cd D:\"Untitled Files"\Documents\"1 DMol3 Energy"
call C:\"Program Files"\Accelrys\"MS Modeling 4.0"\DMol3\bin\RunDMol3 -np 2 1
cd D:\"Untitled Files"\Documents\"2 DMol3 Energy"
call C:\"Program Files"\Accelrys\"MS Modeling 4.0"\DMol3\bin\RunDMol3 -np 2 2
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[ Last edited by qasd on 2008-12-29 at 20:07 ]
2Â¥2008-12-29 19:55:12
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2 DMol3 Energy
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Originally posted by freshgirl at 2008-12-30 10:05:

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2 DMol3 Energy
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RunDMol3 -np 2 1
RunDMol3 -np 2 2
ÕâÀ-n ...

4Â¥2008-12-30 18:41:50
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