Dear Mark and Arthur, thank you for your reply.
I did what you suggest me and almost everything worked.
I created a topology with the two molecules without bonded parameters
between them and put constrains on two of its atoms.
I did a minimization and a simulation (md integrator).
It worked perfect
Eudes Fileti wrote:
The error you report is potentially of the everyday
http://wiki.gromacs.org/index.php/blowing_up variety. See
http://wiki.gromacs.org/index.php/Errors#1-4_interaction_not_within_cut-off
First, get your separated-molecules topology and initial structure
working for basic MD.
Hi Mark, sorry, but could you be more specific whenyou say "Combine the
topologies"?
Was not it what I had done early?
Thank you
eef
> The error you report is potentially of the everyday
> http://wiki.gromacs.org/index.php/blowing_up variety. See
>
http://wiki.gromacs.org/index.php/Errors#1-4_inte
Eudes Fileti wrote:
Hello Mark, thanks for your attention.
I had already made some attempts setting the two molecules
in the same block (as suggested in the forum) but I had no success.
I tried to use restraints and constraints and but run always fails.
The error you report is potentially of t
Hello Mark, thanks for your attention.
I had already made some attempts setting the two molecules
in the same block (as suggested in the forum) but I had no success.
I tried to use restraints and constraints and but run always fails.
Please I am sending my .mdp and .top files as well as the error
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