Re: amber-developers: unformatted restart files

From: David A. Case <case.scripps.edu>
Date: Wed, 2 Apr 2008 13:41:01 -0700

On Wed, Apr 02, 2008, Mengjuei Hsieh wrote:
>
> I might be the only person that uses unformatted restart file
> everyday.

Does it work OK for you (for periodic simulations)? The code for peek_ewald
looks to me like it would fail for unformatted files, and there have been
recent posts to the mailing list of troubles. But if people are using it and
it works, maybe we should keep it.

I agree that a netcdf file would probably be better, but that's for Amber 11.

...regards...dave
Received on Fri Apr 18 2008 - 21:16:17 PDT
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