vani ms wrote:
hello
i got the warning as the Warning: "1-4 interaction between 246 and 251
at distance 4.991 which is larger than the 1-4 table size 2.400 nm
These are
ignored for the rest of the simulation
This usually means your system is exploding,
if not, you should increase table-extension in your mdp file
or
with user tables increase the table size
Segmentation fault"
so tl me wt actually is table extension and table size in mdp file
Your system is blowing up. This is a well-documented event resulting from any
number of factors, including insufficient minimization/equilibration, topology
problems, incorrect .mdp file settings, and the like. For more:
http://www.gromacs.org/Documentation/Errors#1-4_interaction_not_within_cut-off
http://www.gromacs.org/Documentation/Terminology/Blowing_Up
If you want useful help, post a description of your system, how you built it,
what you did to minimize and/or equilibrate, and what settings are in your .mdp
file. Also please avoid abbreviating words for which there is no sensible
reason. It makes reading emails difficult.
-Justin
--
WITH REGARDS
VANI
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
