Anirban Ghosh wrote:
Hi ALL,
I am following Justin's tutorial to run a protein in POPC bilayer
simulation. However while doing a NVT simulation (after EM) I am getting
the following error:
"step 0Warning: 1-4 interaction between 817 and 822 at distance 3.275
which is larger than the 1-4 table size 2.200 nm"
http://wiki.gromacs.org/index.php/Errors#1-4_interaction_not_within_cut-off
I have tried the suggestions like increasing the table-extension,
decreasing the time-step etc., but could not solve the problem. Can
anyone suggest how to solve it? Any suggestion is welcome. Thanks in
advance.
Your starting structure is likely not yet appropriately minimized.
-Justin
Regards,
*Anirban Ghosh*
*Grade Based Engineer
Bioinformatics Team
Centre for Development of Advanced Computing (C-DAC)
Pune, India
*
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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