[gmx-users] Density histogram in Ramachandran plot

Anthony Cruz Balberdi acb15885 at uprm.edu
Fri Nov 13 15:38:37 CET 2009


Here in the gromacs user contribution:

http://www.gromacs.org/index.php?title=Download_%26_Installation/User_contributions/Other_software

I use it once.

Anthony

On Thu, Nov 12, 2009 at 7:49 PM, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
> ms wrote:
>>
>> Hi,
>>
>> I wonder if there is an easy way I am missing to get a density histogram
>> from the Ramachandran plot over a trajectory as outputted by g_rama. All
>> I see are big, uniform black blobs and they're not helpful, because with
>> tons of data points a density plot would be much more informative. Thanks!
>
> It's not quite what you want, but using -dt you can have fewer data points.
> Bear in mind that trajectory snapshots "too close" in time aren't
> independent data anyway...
>
> Mark
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