Dear all:<br>
I made a simulation about a polyelectrolyte with some ions, it runs ok
when I use cut-off for both Wdv and Coulomb. However I get the
following error when I change it to PME. I attache my mdp file . Could
someone help me to find what it's wrong in my file?. Thanks in advance.<br>
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Program mdrun, VERSION 3.3.1<br>
Source code file: fftgrid.c, line: 75<br>
<br>
Fatal error:<br>
Failed to allocated u bytes of aligned memory.<br>
-------------------------------------------------------<br clear="all"><br>-- <br>Cheers, <br> <br>Paul<br>National Tsing Hua University (ÇåÈA´óŒW)<br><br>ÖxÖxÄãµÄŽÍæ<br>I appreciate your help. Thanks!<br>Os agradezco la ayuda. Gracias!
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