[gmx-users] Problem with gmx clustsize ..(Not enough memory. Failed to calloc)

[Sergio Garay]

Dear Gromacs users

I am trying to analyse a MD simulation of 30 lipopeptides in water, in
particular I would like to obtain the average number of these molecules in
each assembly, along the time. I have tried g_clustsize with my simulation
box with only the lipopeptides. For that I prepared a tpr file for these
molecules only. But I have these error:

*g_clustsize -f 0-100ns.xtc -s micelle-alone.tpr -nc -mol -dt 1000*

Fatal error:
Not enough memory. Failed to calloc -1082130432 elements of size 4 for
grps[j].nm_ind
(called from file
/home/sgaray/Programas/gromacs-5.0.4/src/gromacs/fileio/tpxio.c,
line 2510)

Could someone tell me what I am doing wrong?

Thank you in advance.


-- 








*Sergio GarayDr. en Ciencias BiológicasFacultad de Bioquimica y Cs.
BiológicasUniversidad Nacional del LitoralSanta Fe - ArgentinaC.C. 242 -
Ciudad Universitaria - C.P. S3000ZAAArgentinaPh. +54 (342) 4575-213Fax. +54
(342) 4575-221 *