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.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
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Received on Fri Apr 18 2008 - 21:14:16 PDT
