On Fri, Aug 09, 2013, Sanjib Paul wrote:
> I am trying to calculate
> rms first out rms.out .993 time 1.0
>
> But I am getting an error message like-
>
> ERROR in rms: KRMS_ reported Number of atoms less than 2
You are asking for a root mean square fit of atom 993 (1 atom) in your various
structures. But this doesn't make any sense: you could always fit one
atom of structure "A" perfectly onto one atom of structure "B".
[As Amber error messages go, this is one of the more understandble ones....]
...dac
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Received on Fri Aug 09 2013 - 07:00:04 PDT
