Dear all,
In CG parametrisation of one of my molecule which has 45 atoms, using *BI
for bonded and IBI for nonbonded parameters*, a 900 ns simulation of the
single molecule in vacuum has been already completed while I forgot
including the exclusions list gotten from csg_boltzmann in to my topo
On Fri, Apr 13, 2018 at 8:57 AM, Alexander Alexander
wrote:
>
> Dear all,
>
> In CG parametrisation of one of my molecule which has 45 atoms, using BI for
> bonded and IBI for nonbonded parameters, a 900 ns simulation of the single
> molecule in vacuum has been already completed while I forgot inc
Hi Christoph,
Thank you for your response.
As I pointed out, my goal is to do BI for bonded and IBI for nonbonded; for
the BI bonded, I was wondering If I should consider periodicity for the
dihedrals or angle in csg_boltzmann, I mean "tab set periodic 0" or "tab
set periodic 1" as they give d
On Fri, Apr 13, 2018 at 12:00 PM, Alexander Alexander
wrote:
> Hi Christoph,
> Thank you for your response.
>
> As I pointed out, my goal is to do BI for bonded and IBI for nonbonded; for
> the BI bonded, I was wondering If I should consider periodicity for the
> dihedrals or angle in csg_boltzman
