[gmx-users] Regarding inter helical distance using g_bundle
bipinelmat at gmail.com
Tue Nov 29 17:31:27 CET 2011
Thanks for the suggestion. I will try that.
On Tue, Nov 29, 2011 at 19:33, Gianluca Santoni <gianluca.santoni at ibs.fr> wrote:
> On 11/29/11 2:10 PM, bipin singh wrote:
>> I want to calculate inter helical distance between two helices using
>> g_bundle. As mentioned in the manual that
>> "g_bundle reads two index groups and divides both of them in -na
>> parts. The centers of mass of these parts define
>> the tops and bottoms of the axes".
>> Please suggest me out of two possible options given below which one is
>> the correct way of defining two index groups for calculating
>> inter helical distance :
>> (1) Atom1(CA) and Atom3(CA) in one index and Atom2 and Atom4 in another
>> (2) Atom1(CA) and Atom2(CA) in one index and Atom3 and Atom4 in another
>> For reference I am sending the link of figure with above Atom labels.
>> Please have a look at the figure and provide your suggestions.
>> Bipin Singh
> I think g_dist is a easier choice.
> Gianluca Santoni,
> Institut de Biologie Structurale
> 41 rue Horowitz
> Please avoid sending me Word or PowerPoint attachments.
> See http://www.gnu.org/philosophy/no-word-attachments.html
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the www interface
> or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
More information about the gromacs.org_gmx-users