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ÎÒ³õѧgromacs£¬Óöµ½Ò»¸öÎÊÌ⣬²»Äܽâ¾ö Çó¸ßÊÖÖ¸µã£¡ÔÚ¼ÓµçºÉµÄÕâÒ»²½³ýÁËÎÊÌ⣬²»ÖªµÀÔõô½â¾ö£¡ÎҰѱ¨´í·ÅÔÚÉÏÃæ Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups... Number of degrees of freedom in T-Coupling group rest is 64431.00 Largest charge group radii for Van der Waals: 0.248, 0.248 nm Largest charge group radii for Coulomb: 0.248, 0.248 nm Calculating fourier grid dimensions for X Y Z Using a fourier grid of 72x72x72, spacing 0.109 0.109 0.109 Estimate for the relative computational load of the PME mesh part: 0.39 This run will generate roughly 364 Mb of data There was 1 note There was 1 warning ------------------------------------------------------- Program grompp, VERSION 4.5.3 Source code file: grompp.c, line: 1563 Fatal error: Too many warnings (1), grompp terminated. If you are sure all warnings are harmless, use the -maxwarn option. For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------- |
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ÔÂÖ»À¶: ½ð±Ò+1, ¹ÄÀø½»Á÷ 2014-01-18 08:21:09
zhuimeng08: ½ð±Ò+5, ¡ï¡ï¡ïºÜÓаïÖú 2014-01-18 09:20:14
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ÔÂÖ»À¶: ½ð±Ò+1, ¹ÄÀø½»Á÷ 2014-01-18 08:21:09
zhuimeng08: ½ð±Ò+5, ¡ï¡ï¡ïºÜÓаïÖú 2014-01-18 09:20:14
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