[gmx-users] warning: 1-4
a3arzi at vaidila.vdu.lt
Thu Aug 26 15:02:05 CEST 2004
Hello, dr. gmx-users,
My MD simulation of protein and ligand end with warning:
1-4 interactions between 83 and 86 at distance larger than 2 nm.
Soon it ends with segmentation foult.
I did EM and partial MD (constrains = all-bonds for ~ 500 ps).
everything was OK'. I cheked that 83 and 86 atoms belong to Ser
residue and CA and HG atoms of my protein, so topologies are fine (i
Have no idea what's wrong.
GROMACS 3.2 (single prec., Linux, dt=0.002).
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