Re: [AMBER-Developers] ioutfm = 0

From: Ross Walker <ross.rosswalker.co.uk>
Date: Fri, 26 Feb 2016 18:23:39 -0800

Does ntxo only effect the writing of restarts? If yes then we can do it.

Makes sense to do it all now. I agree...

We may have to go through the tutorials before Amber 16 release and see if these defaults break anything - such as how we instruct people to open restart and trajectory files in VMD etc. Taking the medicine is probably a good idea though.

> On Feb 26, 2016, at 6:16 PM, David A Case <david.case.rutgers.edu> wrote:
>
> On Fri, Feb 26, 2016, Ross Walker wrote:
>
>> I will leave ntxo at the current default.
>
> Why?? There are lots of advantages to netcdf restarts. Consider the rather
> large number of complaints on the mailing list about finding '***' in restart
> files. In for penny, in for a pound: let's consider changing both traj and
> restart files.
>
> To Gerald: Chimera is another good choice (besides VMD) and understands netcdf
> trajectory formats.
>
> ...dac
>
>
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