AMBER Archive (2008)

Subject: Re: AMBER: RMSD of two different molecules

From: Da-Wei Li (lidawei_at_gmail.com)
Date: Wed Mar 26 2008 - 15:39:19 CDT


hello,

What is the point to do so?

You can only compare molecules with same number of atoms.

dawei

On Wed, Mar 26, 2008 at 3:35 PM, JunJun Liu <ljjlp03_at_gmail.com> wrote:
> Hello everyone,
>
> I have two small molecules with different atom numbers. Is there a way to
> know the RMSD value between these two different molecules? Can ptraj do
> this?
>
> Thanks in advance!
>
> Junjun
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu