dear João
Thank you very much for your help.
regards
Sathish
On Wed, Sep 21, 2016 at 7:13 AM, João Henriques <
joao.henriques.32...@gmail.com> wrote:
> Dear Sathish,
>
> http://manual.gromacs.org/online/mdp_opt.html#vel
>
> When using "gen_seed = -1", grompp will assign a seed based on the PID
Dear Sathish,
http://manual.gromacs.org/online/mdp_opt.html#vel
When using "gen_seed = -1", grompp will assign a seed based on the PID of
that process. Every time you re-run grompp it will assign a different seed,
because the respective PID for that grompp execution is also different.
This more o
Dear gromacs-users
I created tpr file for nvt
equilibration using mdp file in that mentioned gen_seed=-1.
after creating tpr file, it shows as follows
Generated 5050 of the 5050 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 0.5
Gen
On 9/20/16 6:48 AM, Sathish Kumar wrote:
Dear gromacs-users,
I want to run simulation of system of
peptide with carbon nanotube. And I want to run multiple simulations for
the same initial structure using different random initial velocities. For
that which
