Re: [AMBER] query regarding the restart file of molecular dynamics simulation

From: David A Case <>
Date: Mon, 16 Oct 2017 08:03:23 -0400

On Mon, Oct 16, 2017, Leena Aggarwal wrote:

> This is the restart file generated after running 5ns simulation using
> ntxo=0 and ioutfm=1.

Note that ntxo=0 is not one of the values that should be allowed. It's
certainly safest to set ntxo=2, to get netcdf restart files.


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Received on Mon Oct 16 2017 - 05:30:02 PDT
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