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freshgirl

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MSÖ§³ÖperlÓïÑÔ£¬Èç¹ûÎÒÏëÒ»´Î´¦ÀíºÜ¶à½á¹¹£¬±ÈÈç¶¼ÓÃDMol3×ö½á¹¹ÓÅ»¯£¬ÇëÎÊÕâ¸öÎļþÓ¦¸Ã¾ßÌåÔõôд£¿

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[ Last edited by freshgirl on 2009-6-25 at 15:42 ]
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qasd

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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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freshgirl

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ÒýÓûØÌû:
Originally posted by qasd at 2008-12-29 19:55:
Õâ¸ö»¹Óò»×Åperl£¬DOSÃüÁî¾Í¸ã¶¨ÁË£¬linuxͬÀí
±ÈÈç
@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 1
RunDMol3 -np 2 2
ÕâÀ-npÊÇʲôָÁ2ÓÖ´ú±íʲôÒâ˼£¿ÕâÀïµÄ"1 2"¾ÍÊÇÇ°ÃæÖ¸¶¨µÄÎļþÃûÂð£¿
3Â¥2008-12-30 10:05:49
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qasd

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freshgirl(½ð±Ò+5,VIP+0):·Ç³£·Ç³£¸Ðл:-)ллÄãµÄÄÍÐÄ
1 DMol3 Energy
2 DMol3 Energy
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-np±íʾ¶àºË²¢ÐУ¬2±íʾÁ½¸öºË²¢ÐУ¬Èç¹ûÓиü¶àºË¿ÉÒÔÏàÓ¦µÄ¸Ä¶¯
1±íʾÔÚÉÏÃæÎļþ¼ÐÀïinpÎļþµÄÃû×Ö
ÒýÓûØÌû:
Originally posted by freshgirl at 2008-12-30 10:05:

ллÄãµÄ»Ø¸´¡£ÕâÀïÎÒ»¹Óм¸¸öÎÊÌâÏëÎÊһϣº

ÔÚÄãµÄ³ÌÐòÀï
1 DMol3 Energy
2 DMol3 Energy
ÊÇÕû¸ö¶¼´ú±íÎļþÃûÂ𣿻¹ÊÇÖ»ÓÐ"1 2"ÊÇÎļþÃû£¿

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

4Â¥2008-12-30 18:41:50
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