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Hello,<br><br>I'm getting some problems about segmentation fault. I'm doing a protein simulation during 20 ns on a water cubic box with a total of 23000 atoms. I'm using the TIP3P water model at 300 K. Interestingly, when I use the Berendsen barostat for pressure coupling, I've got a segmentation fault about 1 ns of trajectory. When I don't use it the simulation extends untill 10 ns, but the fault also occurs. Could it be some problem with memory limitation of the computer? I'm using a cluster to run the simulations, and I'm trying to check the memory capacity of the node that I've used.<br>Besides, the message that I've seen is something like that:<br>Step #number of the step and time mdrun -v -deffnm run Segmentation fault<br><br>Thank so much for the help and happy new year<br><br>Marcelo<br><br><br>Marcelo Müller dos Santos, Ph.D. student<br>Laboratorio de Tecnologia Enzimatica e Biocatalise<br>Departamento de Bioquimica e Biologia Molecular, Setor de Ciencias Biologicas, Centro Politecnico, Jardim da Américas, Curitiba - PR, Caixa Postal: 190-46, CEP: 81531-990<br>Phone: (+55) 41 3361-1658<br>Fax: (+55) 41 3266-2042 <br /><hr />Notícias direto do New York Times, gols do Lance, videocassetadas e muitos outros vídeos no MSN Videos! <a href='http://video.msn.com/?mkt=pt-br' target='_new'>Confira já!</a></body>
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