[gmx-users] mdrun output structure
mark.abraham at anu.edu.au
Sat Jul 1 08:33:01 CEST 2006
> Final structure.
> On 6/30/06, Samuel C Flores <samuel.flores at yale.edu> wrote:
>> Hi Guys,
>> Quick question: Is the output structure of mdrun designated by -c a
>> structure, or an average structure? I want the final structure -- am I
>> better off extracting it from the .trr?
It's a final structure, just like it tells you in "man mdrun" - please
read the manpages :-) Depending what you want to do with this structure,
you might want to choose your -c format and precision accordingly.
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