[gmx-users] 1-4 interaction problem with a Thr

Aline Rossi rossi.aline at gmail.com
Wed Oct 29 15:20:17 CET 2008

Hi group,

I'm simulating a protein+drug and always getting the "1-4 interaction
between 3013 and 3016 at distance 1.825 which is larger than the 1-4
table size 1.000 nm". These atoms are a CA and a HG1 from a Thr
residue. My mdp file is enclosed. What should I encrease or decrease
to be able to continue my simulation without this error?


Aline Rossi

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