Re: [AMBER] AMD simulation

From: Mele N. <>
Date: Wed, 18 Dec 2013 11:57:07 +0000

Problem solve.

I forgot to create a new parameter file from the part of my system that I want to study.

De : Mele N. []
Envoyé : mercredi 18 décembre 2013 11:47
À :
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.

AMBER mailing list

AMBER mailing list
Received on Wed Dec 18 2013 - 04:00:03 PST
Custom Search