AMBER Archive (2009)

Subject: [AMBER] MM-GBAS decomp error

From: Catein Catherine (askamber23_at_hotmail.com)
Date: Fri Sep 04 2009 - 05:29:35 CDT

Dear Sir/Madam,

 

I tried to do MM/GBSA calculation with decompostion analysis.

 

However, I found the when I use the DCTYPE=4 instead of 2. The out file getting larger and larger, the calculation stop by complainting not space in the disk. The calculations eat all the disk space (6GB) rapidly.

 

Are there any way to correct this error?

 

Best regards,

 

Cat

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