[gmx-users] Simulation crash and Large VCM(group rest)...

[A. Pandini]

Hi all,

I am trying to simulate a small protein (57aa) in a dodecahedron
box (SPC water) and I am using PME.
After the first step I got a long list of:
------------------------------------------------------------------------
Large VCM(group rest):     -0.00000,      0.00000,     -0.00000, ekin-cm:
0.00000
Large VCM(group rest):     -0.00000,      0.00000,     -0.00000, ekin-cm:
0.00000
Large VCM(group rest):     -0.00000,      0.00000,     -0.00000, ekin-cm:
0.00000
Large VCM(group rest):     -0.00000,      0.00000,     -0.00000, ekin-cm:
0.00000
Large VCM(group rest):     -0.00000,     -0.00000,     -0.00000, ekin-cm:
0.00000
Large VCM(group rest):     -0.00000,     -0.00000,     -0.00000, ekin-cm:
0.00000
Large VCM(group rest):     -0.00000,     -0.00000,     -0.00000, ekin-cm:
0.00000
Large VCM(group rest):     -0.00000,     -0.00000,     -0.00000, ekin-cm:
0.00000
Large VCM(group rest):     -0.00000,     -0.00000,     -0.00000, ekin-cm:
0.00000
calc_bor: cg0=0, cg1=3594, ncg=3594
CG0[0]=0, CG1[0]=3594
CG0[1]=0, CG1[1]=0
calc_bor: cg0=0, cg1=3594, ncg=3594
CG0[0]=0, CG1[0]=3594
CG0[1]=0, CG1[1]=0
-------------------------------------------------------------------------

In 2380 steps the simulation crashed.

I had a look on the archive and found this could be something weird...
What does this message mean?
Is due to my starting structure?
Any suggestion on how to solve the problem?


Thanks a lot
Alex