How to remove CIO from prmtop & crd

From: Jithesh P.V <>
Date: Thu 29 Mar 2001 14:51:25 +0530 (IST)


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 P.V.
Bioinformatics Applications
National PARAM Supercomputing Facility
Centre for Development of Advanced Computing
Pune University Campus, Pune, India - 411007.
Received on Thu Mar 29 2001 - 01:21:25 PST
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