Re: [AMBER] cpptraj msd of center -of-mass motion

From: David A Case <>
Date: Tue, 12 Nov 2019 08:43:00 -0500

On Tue, Nov 12, 2019, 조준범 wrote:
>Is there any method to calculate the msd of center-of-mass of many residues?
>I tried it through the mask ":TEO|:CEO|:EEO", but I don't think the result
>is desirable.
>I wand to see the msd of whole PEO chain.

There is an example of how to do this here:


AMBER mailing list
Received on Tue Nov 12 2019 - 06:00:02 PST
Custom Search