[AMBER] "autoimage" function of cpptraj and holding molecule steady

From: Cenk Andac via AMBER <amber.ambermd.org>
Date: Sat, 15 Oct 2022 22:15:34 +0300

Dear Amber community,

I used the "autoimage" function of cpptraj to re-image a molecule in my MD
trajectory. Indeed, the "autoimage" function does a pretty good job as
compared to the "image" function of cpptraj.
As expected, the molecule is well centered when I visualize the trajectory
by UCSF chimera. However, the molecule seems to rotate around the center of
the box. I can keep the molecule steady by Actions>Hold Selection Steady
command in UCSF Chimera.
I was wondering if cpptraj has a parameter that does a similar job as
Chimera to hold the molecule steady in the trajectory.

Best,

Cenk Andac.
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Received on Sat Oct 15 2022 - 12:30:03 PDT
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