AMBER Archive (2007)

Subject: AMBER: NETCDF

From: Geoff Wood (geoffrey.wood_at_epfl.ch)
Date: Fri Aug 24 2007 - 05:43:11 CDT

Dear Amber users,

I have recently been using the NETCDF trajectory format in AMBER and
decided not only are they easier to handle but process much faster in
other programmes such as ptraj.
However, after converting an ASCII trajectory into a NETCDF
trajectory I find that whenever it is subsequently processed in ptraj
I get the following message :

Whoa Nellie & Cripes!!! We should see 'x', 'y' and 'y' characters in
the spatial variables of the AMBER NetCDF trajectory file unless
someone altered the spec. We see '', '' and ''

The processed trajectory does not seem to have problems but I was
wondering if anyone else has come across this?

Dr Geoffrey Wood
Ecole Polytechnique Fédérale de Lausanne
SB - ISIC - LCBC
BCH 4108
CH - 1015 Lausanne

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