[gmx-users] Fatal Error - RMSD Calculation

Justin A. Lemkul jalemkul at vt.edu
Mon Aug 9 18:35:18 CEST 2010

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.


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


> 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


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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