[gmx-users] ED analysis
Ruben M Buey
ruben at akilonia.cib.csic.es
Tue Sep 7 16:43:47 CEST 2004
Ooops! Sorry! I got it! Just read the manual...
cheers,
Ruben
Ruben M Buey wrote:
> No.
>
>> You should do:
>> g_anaeig -proj
>> (default is -last 8)
>> and then:
>> g_anaeig -f proj -cc
>
>
> g_anaeig -v eigenvec.trr -f beta_gdp_ca.xtc -s beta_gdp_ca.pdb -proj
> proj1_8.xvg
> g_analyze instead g_anaeig?
> with
> g_analyze -f proj1_8.xvg -cc I only obtain:
>
> Cosine content of set 1 with 0.5 periods: 0.849278
>
> But what about the rest of eigenvectors??
>
> Thanks you,
> Cheers,
> Ruben
>
>>
>> You will certainly get higher numbers for vectors 2-5.
>>
>> Berk.
>>
>> _________________________________________________________________
>> FREE pop-up blocking with the new MSN Toolbar – get it now!
>> http://toolbar.msn.click-url.com/go/onm00200415ave/direct/01/
>>
>> _______________________________________________
>> gmx-users mailing list
>> gmx-users at gromacs.org
>> http://www.gromacs.org/mailman/listinfo/gmx-users
>> Please don't post (un)subscribe requests to the list. Use the www
>> interface or send it to gmx-users-request at gromacs.org.
>>
>>
>
--
------------------------------------------------------
Ruben M Buey. PhD student. Lab 308
Centro de Investigaciones Biologicas
Consejo Superior de Investigaciones Cientificas
Dpt. Protein Function and Structure
C/ Ramiro de Maeztu, 9
28040 Madrid (SPAIN)
Phone: 34-918373112 ext 4380
Fax: 34-915360432
------------------------------------------------------
More information about the gromacs.org_gmx-users
mailing list