I think your original problem is that you define only one charge group for the
entire molecule/polymer. You need to define each bead in a separate charge
group and things will be fine :)) you do not have charges anyways.
As far as I know angles have never made martini unstable but the
Dear advanced gromac users,
I am trying to simulate a long linear chain of polymer using CG beads. (about
200 beads), all with same type charge interactions. (examples shown:) I read on
previous gromacs mailing list that linear systems with same charges make the
system unstable? But is there
On 1/1/13 10:33 PM, Xu Dong Huang wrote:
Dear advanced gromac users,
I am trying to simulate a long linear chain of polymer using CG beads. (about
200 beads), all with same type charge interactions. (examples shown:) I read on
previous gromacs mailing list that linear systems with same
Dear Justin,
My .itp does not contain angles or dihedrals because we are simply interested
in the very simple generic case of a linear (what we assume by defining a
coordinate file of linear beads) polymer model. I will go through the tutorial
and try to see if it resolves my issue.
Xu Dong
On 1/1/13 10:46 PM, Xu Dong Huang wrote:
Dear Justin,
My .itp does not contain angles or dihedrals because we are simply interested
in the very simple generic case of a linear (what we assume by defining a
coordinate file of linear beads) polymer model. I will go through the tutorial
and
@Justin,
Does the philosophy described in your tutorial apply to CG martini bead models
where 1 bead describes the entire CO2 atom? (If I were to do that, assuming)
Xu Dong Huang
Chemical Biochemical Engineering
Rutgers School of Engineering
xudo...@eden.rutgers.edu
On Jan 1, 2013, at
On 1/1/13 10:51 PM, Xu Dong Huang wrote:
@Justin,
Does the philosophy described in your tutorial apply to CG martini bead models
where 1 bead describes the entire CO2 atom? (If I were to do that, assuming)
Presumably. As long as you satisfy the criteria mentioned in the tutorial
(moment
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