[gmx-users] g_tcaf segmentation fault

Stelios Karozis skarozis at ipta.demokritos.gr
Wed Sep 26 12:33:26 CEST 2012

Dear all,

I am attempting to calculate the viscosity of a liquid binary system of 500 molecules (3050 atoms), via g_tcaf command.
The system is equilibrated. The list of command I use is:

/g_covar -f traj.trr -s topol.tpr -n index.ndx -o eigenval.xvg -v eigenvec.trr -av average.pdb -l covar.log//
//g_tcaf -b 0 -e 20000 -dt 0.001 -f eigenvec.trr -s topol.tpr -n index.ndx -mol -oc tcaf_cub.xvg  -oa tcaf_all.xvg -o tcaf.xvg -of tcaf_fit.xvg/

The result is a Segmentation fault error:

/Selected 0: 'System'//
//trn version: GMX_trn_file (single precision)//
//Last frame         -1 time    0.000/*/
/**/Segmentation fault/*

I use GROMACS 4.5.5

What am I doing wrong?

Thanks in advance

Stelios Karozis
Research Assistant
Environmental Research Lab
IN-RAS-TES - NCSR Demokritos - Greece
email: skarozis at ipta.demokritos.gr
tel  : 0030 210 650 3403

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