Re: PCL dcd files

From: Giacomo Fiorin (
Date: Mon Sep 29 2014 - 12:10:07 CDT

It looks to me that if you can send the very same email twice, you can also
repeat the original run to see if you can reproduce the original file size.

On Mon, Sep 29, 2014 at 12:38 PM, Mihaela Drenscko <>

> Hello,
> I obtained far different sizes dcd files (with different number of frames
> for the same number of steps) when I run colvar simulations with rgyr and
> distance included for PCL (also different sizes dcd files with rgyr but no
> distance included). Is that normal, not to have the same number of frames?
> All I did was to modify rgyr amplitude of fluctuations width from 0.5A to
> 2.5A.
> Thank you,
> Mihaela

Giacomo Fiorin
Assistant Professor of Research
Institute for Computational Molecular Science (ICMS)
College of Science and Technology, Temple University
1925 North 12th Street (035-07), Room 704D
Philadelphia, PA 19122-1801
Phone: +1-215-204-4213

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