[gmx-users] In continuous I got another warning, could anyone help me?
banijamali_fs at ut.ac.ir
Tue Mar 5 18:31:33 CET 2019
Thanks for your response, but when I went to that link, it was said to
put -nt 1 in command line, so when I put this I get another warning that
Listed nonbonded interaction between particles 1 and 29
at distance 2.404 which is larger than the table limit 2.200 nm.
This is likely either a 1,4 interaction, or a listed interaction inside
a smaller molecule you are decoupling during a free energy calculation.
Since interactions at distances beyond the table cannot be computed,
they are skipped until they are inside the table limit again. You will
only see this message once, even if it occurs for several interactions.
IMPORTANT: This should not happen in a stable simulation, so there is
probably something wrong with your system. Only change the
distance in the mdp file if you are really sure that is the reason.
So what should I do with this?
Do anyone knows what should I exactly do?
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