Dear Victor,
first of all i want to apologize for the late answer. I managed to fix
the bond potential issue, actually there was no issue at all with the
potential but instead my initial configuration was crappy, bonds
lengths were bigger than half of the simulation box. After correcting
the
Dear Sacha,
that indeed still sound a bit like an input problem, I'm a bit worried
about your comment: the bond length of the coarse-
grained system is much higher than this. That should be fixed first,
if after the first iteration the bond length is so off there is
probably something wrong. You
Hi Sacha, I had similar problem at first, just to realise after that
in my grompp.mdp, settings.xml and index.ndx I have not specified
correctly non-bonded groups correct names. Here is what I did to get
mines working, so mb good to double check yours are all fine too.
So tabulated bond and
I appreciate so much your advice Valentina. I will follow your
indications and let's see what i get.
All the best :)
Sacha
On Oct 21, 3:38 pm, Valentina valentina_erast...@yahoo.co.uk wrote:
Hi Sacha, I had similar problem at first, just to realise after that
in my grompp.mdp,
