| 查看: 327 | 回复: 1 | |||
[交流]
【求助】动力学出错了 已有1人参与
|
|
Explanation: During neighborsearching, we assign each particle to a grid based on its coordinates. If your system contains collisions or parameter errors that give particles very high velocities you might end up with some coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot put these on a grid, so this is usually where we detect those errors. Make sure your system is properly energy-minimized and that the potential energy seems reasonable before trying again. Variable ci has value -2147483648. It should have been within [ 0 .. 1000 ] Please report this to the mailing list (gmx-users@gromacs.org) 我的动力学还没跑几步呢就出现错误了 我百思不得其解，希望高手能指点几招 谢谢 嘿嘿 |
回复此楼» 猜你喜欢
281求调剂（0805）
已经有12人回复
-
一志愿西南交大，求调剂
已经有4人回复
-
0854可跨调剂，一作一项核心论文五项专利，省、国级证书40+数一英一287
已经有7人回复
-
297求调剂
已经有7人回复
-
材料专硕306英一数二
已经有13人回复
-
0703化学调剂 ，六级已过，有科研经历
已经有10人回复
-
0817 化学工程 299分求调剂 有科研经历 有二区文章
已经有6人回复
-
收复试调剂生
已经有4人回复
-
材料专硕274一志愿陕西师范大学求调剂
已经有6人回复
-
331求调剂（0703有机化学
已经有8人回复
2楼2010-05-12 21:27:03
50