[gmx-users] Fatal Error - RMSD Calculation

[Justin A. Lemkul]

deisy yurley rodriguez sarmiento wrote:
> Hi everyone,
> 
> I want to calculate the RMSD, and a few minutes to start the 
> calculation, appears that Fatal Error:
> calloc for bond_mat[i] (nelem=50001, elsize=4, file gmx_rms.c, line 650)
> 
> I don't have any idea what is the problem.

Sounds like a memory allocation problem.

http://www.gromacs.org/Documentation/Errors#Cannot_allocate_memory

If you want advice for troubleshooting, provide your command line, groups chosen 
for analysis, description of the system, etc.

-Justin

> 
> Thanks in advance!!!...
> 
> Deisy Y. Rodriguez S.
> Practicante de Computos Avanzados
> Grupo de Investigacion en Fisicoquimica Teorica y Experimental GIFTEX
> Tel. 6344000  ext. 2792
> Universidad Industrial de Santander
> 
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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