luciano.pgomes wrote:
Hi,
Hi All,
I had this problem running MD on a single Debian machine:
Program mdrun_d, VERSION 3.3.1
Source code file: stat.c, line: 257
Fatal error:
XTC error
There is no chance of being size exceeded of file or quota, or disk error.
I compiled gromacs with gcc-3.4...
Does anyone know what this error means? Gcc version may be the cause?
Thanks,
Luciano P Gomes
it can also mean that your system is exploding.
No.
The xtc file doesn't opened. It crashed VMD.
I forgot saying that I was running simulated annealing protocol with a DNA
molecule and crystallographic water molecules (HOH) freezed, only moving ions
and water molecules placed by genbox (tip3p). The crash occured on 2 ps of
simulation time in a temperature of 50K. I had excluded non-bonded
interactions: DNA DNA HOH DNA HOH HOH.
I am running now a simple MD at 300K and this error haven't occured yet.
I am trying to understand...
did you use pressure coupling? you can not have Pcoupl with freezing and
constraints.
Thanks,
Luciano
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