From NWChem
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| 5:56:44 AM PDT - Thu, Jun 21st 2012 |
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After doing a prepare calculation , the program generates several .mat files instead of .frg_TMP. What does this mean? Does it mean my program is wrongly installed? What is the .mat file?
By the way, the pdb file contains several residues.
Thanks.
Cui
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| 12:16:48 PM PST - Tue, Dec 4th 2012 |
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.mat files are temporarily files used in generating missing atom positions. After generating topology and restart files these can be ignored/deleted.
frg_TMP files are only generated if your structure contains segments for which no frg or sgm files exist in the database.
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| 6:55:23 PM PST - Mon, Dec 24th 2012 |
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Quote:Tps Dec 4th 7:16 pm.mat files are temporarily files used in generating missing atom positions. After generating topology and restart files these can be ignored/deleted.
frg_TMP files are only generated if your structure contains segments for which no frg or sgm files exist in the database.
OK, Thank you !
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