Re: [AMBER] Use of PCASuite in analyzing DNA-MD trajectories

From: francesco oteri <francesco.oteri.gmail.com>
Date: Tue, 3 Apr 2012 08:50:41 +0200

Hi,
perhaps your trajectory is too large.
Try to use a smaller trajectory, with only CA for example.

Francesco


Il giorno 02 aprile 2012 20:53, Muhammad Khaled Tumbi <khaledtumbi.gmail.com
> ha scritto:

> Hi,
> did any one used Principle Component Analysis method to analyse the
> molecular dynamics trajectory (Meyer et al., J. Chem. Theor. Comp. 2006, 2,
> 251-258 ).
> I am trying this using PCASuite (pcazip) but getting error " not enough
> memory allocating -553492920 bytes"
> Can anybody help me to solve this problem
> Regards
> =-=-=-=
> Tumbi Muhammed Khaled Abdul Waheed,
> Institute Scholar,
> Department Of Pharmacoinformatics,
> NIPER, S.A.S. Nagar, Mohali,
> Punjab, India.
> Mob. +91 78145 24855
> www.niper.ac.in
> www.pharmacoinformatics.info
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Cordiali saluti, Dr.Oteri Francesco
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Received on Tue Apr 03 2012 - 00:00:04 PDT
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