[gmx-users] fatal error when using Martini CG force field
lammps lammps
lammp2forum at gmail.com
Fri Jun 12 04:27:35 CEST 2009
When I use CG martini force field to do simulation, and use the example of
Martini website.
There are many warnings when grompp the mdp file:
--------------
WARNING 4 [file mem16.top, line 41]:
For proper thermostat integration tau_t (0.1) should be more than an
order of magnitude larger than delta_t (0.02)
-------------
After running long time, a fatal error appears:
Fatal error:
1 of the 13956 bonded interactions could not be calculated because some
atoms involved moved further apart than the multi-body cut-off distance (1.2
nm) or the two-body cut-off distance (1.2 nm), see option -rdd, for pairs
and tabulated bonds also see option -ddcheck
What does it matter?
Thanks in advance
--
wende
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090612/2ac3d670/attachment.html>
More information about the gromacs.org_gmx-users
mailing list