Hi,
I'm not familiar with the g_spatial gromacs tool, but from the
descriptions I've just read it seems like it may calculate density,
similar to the cpptraj 'grid' command. Comments from anyone more
familiar with gromacs appreciated.
-Dan
On Wed, Jul 12, 2017 at 10:29 AM, Saikat Pal <saikatpaliitg.yahoo.com> wrote:
> Thank you, sir, for your kind response. I have already calculated RDF (Radial Distribution Function) for my system. Bt now I want to calculate SDF (Spatial Distribution Function) of this system. In gromacs, there are two separate commands for RDF g_rdf and SDF g_spatial. Is there any command for SDF in amber?
> Thanks and regards,Saikat
>
>
> On Wednesday 12 July 2017, 6:40:35 PM IST, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
> The radial distribution function can be calculated via the ''radial'
> command in cpptraj.
>
> -Dan
>
> On Wed, Jul 12, 2017 at 9:06 AM, Saikat Pal <saikatpaliitg.yahoo.com> wrote:
>> Dear all,
>> I want to calculate SDF (Spatial Distribution Function) in amber.Is it possible in amber??
>> Thanks and regards,
>> Saikat Pal
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> -------------------------
> Daniel R. Roe
> Laboratory of Computational Biology
> National Institutes of Health, NHLBI
> 5635 Fishers Ln, Rm T900
> Rockville MD, 20852
> https://www.lobos.nih.gov/lcb
>
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Wed Jul 12 2017 - 08:00:04 PDT
