On 12/18/13 3:33 AM, jkrie...@mrc-lmb.cam.ac.uk wrote:
Does it make sense to install gromacs 5.0 beta for analysing a simulation from
4.6.x?
The 4.6.x series can't handle the g_select output (different index groups for
each frame), so it's not really possible to (easily) make use of it. O
Does it make sense to install gromacs 5.0 beta for analysing a simulation from
4.6.x?
On 18 Dec 2013, at 05:17, Venkat Reddy wrote:
> Hi,
> I have had used 5.0 beta version and as far as I know, "gmx gangle"
> supports the output from g_select.
>
>
> On Wed, Dec 18, 2013 at 6:39 AM, Justin Le
Hi,
I have had used 5.0 beta version and as far as I know, "gmx gangle"
supports the output from g_select.
On Wed, Dec 18, 2013 at 6:39 AM, Justin Lemkul wrote:
>
>
> On 12/17/13 7:43 PM, jkrie...@mrc-lmb.cam.ac.uk wrote:
>
>> Thanks Justin,
>>
>> I have tried this and I can a new index file th
On 12/17/13 7:43 PM, jkrie...@mrc-lmb.cam.ac.uk wrote:
Thanks Justin,
I have tried this and I can a new index file that has an item for each frame
with atoms that match the selection. How do I create a single index item and
combine it into the main index file for use with other tools such as
Thanks Justin,
I have tried this and I can a new index file that has an item for each frame
with atoms that match the selection. How do I create a single index item and
combine it into the main index file for use with other tools such as g_hbond?
Best wishes
James
On 18 Dec 2013, at 00:14, Jus
On 12/17/13 1:55 PM, jkrie...@mrc-lmb.cam.ac.uk wrote:
I think g_select does something like this. I am trying to do something
similar: make a selection of water within 5A or so of a residue in my
protein. Also need help please.
The examples at the end of g_select -select 'help all' pretty we
I think g_select does something like this. I am trying to do something
similar: make a selection of water within 5A or so of a residue in my
protein. Also need help please.
> Dear Gmx Users,
>
> I have my carbon nanotube (lenght z axis) with proteins attached to it. I
> wish to collect RDF of give
