Dear all,
I have a question about the handling of the tabulated interactions.
I have a question about the handling of the tabulated interactions.
I am using tabulated potentials for my simulations.
With "grompp" there is no problem, i.e. no error messages.
Running mdrun produces:
Fatal error:
A tabulated bond interaction table number 1 is out of the table range: r 13.532542, between table indices 135325 and 135326, table length 60000
I really do not understand this error. Considering my system it seems to be senseless.
The value for "r" in the first column of my table is ranged from 0 to 6nm with a step size of 0.001nm.
My box size is 6nm. So how is it possible that a bonded interaction is greater than the box itselfs?
I am actually thinking, that it should be enough that the table is ranged from 0 to 2 or 3nm as the interaction is a bonded one.
Or does this error message only occur, because of the fact that my system is crashing - so as a result from an other error in my files?
Tank you very much in advance.
Best,
Liz
-- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
