Re: PCA calculation

From: Richard Wood (
Date: Wed Feb 13 2008 - 10:00:19 CST

Hi all,

At the risk of getting yelled at by someone, I'd like to know why one would make the statement, "Even though writing own programs is better"? It seems to me that is one's own personal opinion, and has nothing to do with science or doing science, or even using NAMD.
Again, not all of us are programmers, and I wish those of you that think we should be would stop reminding us that we should be.

Let's discuss the use of NAMD to solve scientific problems, shall we?


Richard L. Wood, Ph. D.

----- Original Message ----
From: ramya narasimhan <>
To: namdmail <>
Cc: Nicholas M Glykos <>
Sent: Tuesday, February 12, 2008 10:59:49 PM
Subject: Re: namd-l: PCA calculation

Hi all,
            Thank you so much for all your valuable tips. I have tried carma which works fine. (To Glykos : the command works perfectly). Even though writing own programs is better, there should be some standard reliable scripts to test our program. Anyway I try even this way.

Thank You All

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