[gmx-users] xtc error

[David van der Spoel]

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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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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