[AMBER] AMD simulation

From: Mele N. <nm10g13.soton.ac.uk>
Date: Wed, 18 Dec 2013 11:47:00 +0000

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 - 04:00:02 PST
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