Hello sir,<br><br>On giving gmxdump its giving me an error saying "segmentation fault.My box size is 6x6X6.Am trying to run it it vaccum for 250 ps wit 50000 timesteps and with columb type=PME. I read from mailing list that PME calculations requires large amount of memory space.Is this an issue with dimension of box or with the system memory allocation ?Here's my log file.<br>
<br>T-Coupling : 106 (total 106 atoms)<br>Energy Mon. : 106 (total 106 atoms)<br>Acceleration: 106 (total 106 atoms)<br>Freeze : 106 (total 106 atoms)<br>User1 : 106 (total 106 atoms)<br>
User2 : 106 (total 106 atoms)<br>VCM : 106 (total 106 atoms)<br>XTC : 106 (total 106 atoms)<br>Or. Res. Fit: 106 (total 106 atoms)<br>QMMM : 106 (total 106 atoms)<br>ben-nch0.xtc frame 0:<br>
natoms= 1 step= 0 time=-2.9120485e-05 prec=2.8026e-45<br> box (3x3):<br> box[ 0]={-2.89059e-05, 3.98821e-34, -2.39380e-05}<br> box[ 1]={ 3.98770e-34, 1.40130e-45, -2.91168e-05}<br>
box[ 2]={-1.96789e+00, -2.91207e-05, -1.96789e+00}<br> x (1x3):<br>Segmentation fault<br> <br><br><br>