Thank you for the reply Bill.
The atom orders are the same. But when I use the 'atomicfluct' command for
RMSF calculation it ends up in an error like "Error: AtomicFluct not yet
supported for mulitple topologies with different #s of atoms". if that
is the case, then how one can determine the RMSF?
On Thu, May 16, 2019 at 5:29 PM Bill Ross <ross.cgl.ucsf.edu> wrote:
> Are the connectivities and mot importantly, the atom orders the same?
> If so, the prmtop shouldn't matter, unless you are using mass-weighted
> RMS and the topologies use different atom masses, I believe.
>
> Bill
>
> On 5/16/19 4:43 AM, Rinsha Chk wrote:
> > Hello,
> > I had combined trajectories with different topology file, in order to get
> > rmsf of the combined trajectory which topology should I use?
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--
Rinsha. C H
Research Scholar
Theoretical and Computational Chemistry Lab
Department of Chemistry
NIT Calicut
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Received on Thu May 16 2019 - 22:30:02 PDT
