Re: [AMBER] about velocity output

From: M. L. Dodson <>
Date: Wed, 17 Nov 2010 21:17:01 -0600

On 11/17/2010 6:43 PM, hong-bin Xie wrote:
> Hi Jason:
> Thank you. I am just wondering whether your colleague would like to share
> his script with me.
> Best wishes
> Hongbin
> On Wed, Nov 17, 2010 at 4:28 PM, Jason Swails<>wrote:
>> Hi,
>> A colleague of mine has informed me that I'm in fact quite wrong here. He
>> has a script that will do this. Basically, what you need is some kind of
>> interface to netcdf-encoded files. Python has a module that interfaces to
>> it (see the netcdf website). Then you can create a script to do this for
>> you, or perhaps he will respond to this post.
>> is the
>> website, and apparently this package is available through
>> "ScientificPython".
>> Hope this helps,
>> Jason

I think if you have AmberTools configured to read netcdf files, you
might be able to recover the data, then write it back out with a
4-5 line nab program. (I haven't tried this, so read the manual.)

Bud Dodson
M. L. Dodson
Business Email: activesitedynamics-at-comcast-dot-net
Personal Email: mldodson-at-comcast-dot-net
Mobile Phone: eight_three_two-56_three-386_one
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Received on Wed Nov 17 2010 - 19:30:03 PST
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