Problem solve.
I forgot to create a new parameter file from the part of my system that I want to study.
________________________________________
De : Mele N. [nm10g13.soton.ac.uk]
Envoyé : mercredi 18 décembre 2013 11:47
À : amber.ambermd.org
Objet : [AMBER] AMD simulation
Dear Amber user,
I am running an Accelerated MD simulation and I would like to analysis my angle phi and psi with ptraj command but I received this error:
Error: Number of atoms in NetCDF file protein_prod_amd.mdcrd (2025) does not
match number in associated parmtop (2026)!
By mistake, I did not use all the atom of my system during the amd simulation by using this command ntwprt.
There is a way to figure out of this problem?
Many thanks in advance.
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Received on Wed Dec 18 2013 - 04:00:03 PST
