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DL_POLY terminated due to error 392error - too many link cells requested ÎÒÓÃNPTϵ×ÛËã³öµÄÎÊÌ⣬NVTËã¾ÍûÎÊÌâ¡£ configºÍfieldÓ¦¸ÃûÎÊÌ⣬¶¼ÊÇÒ»ÑùµÄ¡£ controlÎļþÈçÏ£º integrator leapfrog verlet temperature 300.00 pressure 0.0001 ensemble npt berendsen 1.0000 1.0000 steps 100000 equilibration 20000 multiple step 1 scale 10 print 10 stack 100 stats 10 trajectory 0 1000 0 rdf 10 timestep 0.0050 primary cutoff 5.000 cutoff 5.000 delr width 1.000 rvdw cutoff 5.000 no electrostatics shake tolerance 1.0E-5 quaternion tolerance 1.0E-5 ... ÎÒ¿´ÁËÊֲᣬ˵Ҫ¸Ä²ÎÊý£¬¾ßÌåÔõô¸Ä£¿ лл£¡ |
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6Â¥2015-07-14 20:23:05
paladinlee
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2Â¥2010-10-13 16:23:58
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3Â¥2010-10-13 18:47:06
paladinlee
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4Â¥2010-10-14 09:38:52













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