On 2/5/14, 2:10 PM, Xu Dong Huang wrote:
Thank you for the information, I wish to exclude 1-3 and 1-4 interactions in my
simulation, therefore how would I change my topology to achieve this effect if
I want to turn both 1-3 and 1-4 off?
nrexcl = 3, as explained in the manual.
-Justin
Th
Thank you for the information, I wish to exclude 1-3 and 1-4 interactions in my
simulation, therefore how would I change my topology to achieve this effect if
I want to turn both 1-3 and 1-4 off?
Thanks,
On Feb 2, 2014, at 11:31 AM, Justin Lemkul wrote:
>
>
> On 2/2/14, 11:29 AM, Xu Dong H
On Sun, Feb 2, 2014 at 5:29 PM, Xu Dong Huang wrote:
> Dear all,
>
> I am unclear about the bond exclusion properties within gromacs. Using a
> martini model system, what is the default behavior of setting
> [moleculetype]
> ;name exclusions
> eth 1
>
> exclusions to 1?
The others have c
Hi,
The first line "eth1" tells it all. In that molecule all non-bonded
interactions between first bonded neighbors will be excluded.
Thus the 1-3, 1-4 (and so on) non-bonded interactions will be included. You may
add additional exclusions in the [ exclusion ] section of your topology.
On 2/2/14, 11:29 AM, Xu Dong Huang wrote:
Dear all,
I am unclear about the bond exclusion properties within gromacs. Using a
martini model system, what is the default behavior of setting
[moleculetype]
;name exclusions
eth 1
exclusions to 1? How do I find out what kind of interaction
Dear all,
I am unclear about the bond exclusion properties within gromacs. Using a
martini model system, what is the default behavior of setting
[moleculetype]
;name exclusions
eth 1
exclusions to 1? How do I find out what kind of interaction it is excluding? I
am interested in finding
