Dear Sakiru:
This topic was discussed before on-list:
https://www.mail-archive.com/search?l=gromacs.org_gmx-users@maillist.sys.kth.se&q=subject:%22%5Bgmx-users%5D+g_spatial%22&o=newest&f=1
Basically, if you have 48 molecules of A, then you need to process your
trajectory so that it is 48x large
Hi everyone,
I want to generate the spatial distribution function of
Molecule A around molecules B.
I have 48 molecules of A and 200 molecules of B in a cubic box and I want to
find the spatial distribution of B around A in the first shell of B ( about 5A
away from A base
e.
The "points" representation is kind of useless.
I will send you an image of the SDF that I generated off list.
Good luck,
Chris.
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
on behalf of Rubaiyet
Abedin
Sent: 05 October 2016 15:58:14
th.se> on behalf of Rubaiyet
> Abedin
> Sent: 04 October 2016 23:45:31
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] g_spatial Problem
>
> Dear Dr. Neale,
>
> Thanks for your reply. Actually my system is quite a big system. It
> contains:
>
> Cation
take
a look and post a script to make the SDF.
Chris.
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
on behalf of Rubaiyet
Abedin
Sent: 04 October 2016 23:45:31
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] g_spatial Problem
Dear Dr
users-boun...@maillist.sys.kth.se <
> gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Rubaiyet
> Abedin
> Sent: 26 September 2016 13:18:46
> To: gromacs.org_gmx-users@maillist.sys.kth.se
> Subject: [gmx-users] g_spatial Problem
>
> Dear Sir,
>
> Hope you are doing g
) that
have at least 3 atoms and make that sdf as well.
Good luck.
Chris.
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
on behalf of Rubaiyet
Abedin
Sent: 26 September 2016 13:18:46
To: gromacs.org_gmx-users@maillist.sys.kth.se
Subject: [gmx
Dear Sir,
Hope you are doing good. I am working with a system that contains ionic
liquid and refrigerant. To avoid complication let’s say my system contains
the following:
Cation (1)
Anion (2)
Type A (3)
Type B (4)
And the system (0). I want to get the spatial distribution function of type
Dear Sir,
Hope you are doing good. I am working with a system that contains ionic
liquid and refrigerant. To avoid complication let’s say my system contains
the following:
Cation (1)
Anion (2)
Type A (3)
Type B (4)
And the system (0). I want to get the spatial distribution function of type
