[gmx-users] Proble while running minimization using .tpr file

kinshuk at chem.iitb.ac.in kinshuk at chem.iitb.ac.in
Sat Jan 12 10:34:40 CET 2008

Hi All,
Myself Kinshuk from IIT-Bombay.I have gone through gromacs mailing list
there i came to know about you while searching the solution of the problem
while running minimization using .tpr in position restraints steps of MD
run.I have been performing simulation of guanidium ion & phosphate ion by
i hope i will be getting answer of my problem .

In my case no problem is coming while running the grompp, no warning is
coming. i could able to generate .tpr file without any error.
problem cames only while running the minimization using the .tpr file

For convenience, as mention earlier, following was the problem :
#Warning: 1-4 interaction between 1 and 9 at distance 8.443 which is larger
than the 1-4 table size 1.000 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#

I will be thankful if i'll be getting solution of this problem.

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