Fwd: PCL dcd files

From: Mihaela Drenscko (quo.physics_at_gmail.com)
Date: Mon Sep 29 2014 - 11:38:30 CDT


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

Thank you,

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