[AMBER] PCA analysis and amber prmtop file

From: Neha Gandhi <n.gandhiau.gmail.com>
Date: Tue, 22 Oct 2013 16:29:37 +0800

Dear mailing list,

I have a multiple pdb file with just the backbone atoms. I want to
perform PCA analyses. For using PCA, ptraj will require .prmtop file.
When I prepare .prmtop file it will write sidechains and backbone too.
Is there a way to save only backbone atoms in .pmrtop file? 


-- 
Regards,
Dr. Neha S. Gandhi,
Curtin Research Fellow,
School of Biomedical Sciences,
Curtin University,
Perth GPO U1987
Australia
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Received on Tue Oct 22 2013 - 01:30:05 PDT
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