[AMBER] How to convert multiple mdcrd files to single files with minimium size?

From: Catein Catherine <askamber23.hotmail.com>
Date: Thu, 8 Mar 2012 23:47:26 +0800

Dear Sir,

I have a large number of mdcrd files. I need to view and analysis all these files in one goes with VMD. However, due to the memory reason, I cannot load all these files to VMD.

Could you mind to suggest how to use ptraj to convert all these files to a format that readable in VMD with less memory.

I think of using ptraj to convert all these mdcrd files to single mdcrd without water and Na+. However, after doing it, the inonegoes.mdcrd is reduced by ten times. But I cannot read this file with VMD using my original *.prmtop (after or after adding water or Na+) anymore. How to do it properly? Please help.

trajin ../1.mdcrd.gz
trajin ../2.mdcrd.gz
trajin ../3.mdcrd.gz
trajin ../4.mdcrd.gz
trajin ../5.mdcrd.gz
trajin ../6.mdcrd.gz
trajin ../7.mdcrd.gz
strip :WAT
strip :Na+
trajout inonegoes.mdcrd nobox

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Received on Thu Mar 08 2012 - 08:00:03 PST
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