[AMBER] How to overcome the limitation of file size when using ptraj?

From: Catein Catherine <askamber23.hotmail.com>
Date: Tue, 10 Apr 2012 15:29:16 +0800

Dear Sir/Madam,
I was trying to convert a large number of mdcrd files to binopos format using ptraj:
trajin md1.mdcrd.gz
trajin md2.mdcrd.gz
trajin md100.mdcrd.gz
trajout md1to100.binpos binpos
In the ptraj's log file, I found a total of 8300 frames were read, at the end of the log file, I found the following command:
  File (md1to100.binpos) is a BINPOS file
PTRAJ: Successfully read in 8300 sets and processed 8300 sets.
       Dumping accumulated results (if any)
When I tried to open this md1to100.binpos file with VMD, I can only see 1869 frames.
When I do the same analysis from md1 to md50 only and save it as md1to50. I can only see 1869 frames. The file size of md1to100.binpos is same as md1to50.binpos.
It seems to me that there is a limitation on the file size. How to overcomes this?
Best regards,
AMBER mailing list
Received on Tue Apr 10 2012 - 00:30:03 PDT
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