AMBER Archive (2001)

Subject: How to remove CIO from prmtop & crd

From: Jithesh P.V (jithesh_at_cdac.ernet.in)
Date: Thu Mar 29 2001 - 03:21:25 CST

Hi,

Is there any method to remove the counterion information from prmtop as
well as prmcrd format files? Or is there a way to create an average
structure (crd) avoiding the counterion and water, which are present in
the original trajectory? I could remove both water and counterion
information from the trajectory with ptraj, and only water but not
counterion from prmtop (with stripwater in rdparm).

Thank you for your suggestions

Jithesh
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Jithesh P.V.
Bioinformatics Applications
National PARAM Supercomputing Facility
Centre for Development of Advanced Computing
Pune University Campus, Pune, India - 411007.
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