[gmx-users] energy minimization

Justin A. Lemkul jalemkul at vt.edu
Sun Jul 27 02:06:39 CEST 2008

Quoting prasun kumar <prasun30 at gmail.com>:

> dear users ,
> while doing energy minimization I am getting warning as following
> 1-4 interaction between 3154 and 3163 at distance 2.109 which is larger than
> the 1-4 table size 1.000 nm

This is one of the most common questions on the list.  You've got something
unphysical in your system, and it is exploding.  Search the archives for
potential solutions.


> can any one help me?
> waiting for your suggestions
> prasun kumar


Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list