AMBER Archive (2009)

Subject: Re: [AMBER] nmoldyn2 with Amber

From: Thomas Cheatham (tec3_at_utah.edu)
Date: Sun Mar 08 2009 - 15:10:17 CDT

> >> http://dirac.cnrs-orleans.fr/plone/software/nmoldyn/nmoldyn-2) that
> >> nMOLDYN 2 uses netCDF format for the trajectory output, so you
...
> As far as I can tell, page 13 of the NMOLDYN 2 User's Guide states
> explicitly that input trajectories should be in netCDF format.

netCDF is a file type standard for data files (akin to ascii or binary);
it is unlikely the nMOLDYN uses the AMBER-specific netCDF file. It likely
uses some other MD file specification that happens to be in netCDF format.

--tec3

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