 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 2 | 1/1 | 返回列表 |
| 查看: 613 | 回復(fù): 1 | ||
[求助]
mdrun -s topol.tpr 時出錯
|
|
mdrun -s topol.tpr 時出錯，請問是什么原因？ Steepest Descents: Tolerance (Fmax) = 1.00000e+02 Number of steps = 30000 ------------------------------------------------------- Program mdrun, VERSION 4.0.7 Source code file: nsgrid.c, line: 357 Range checking error: 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 .. 360 ] |
回復(fù)此樓» 猜你喜歡
309求調(diào)劑
已經(jīng)有3人回復(fù)
-
070300化學354求調(diào)劑
已經(jīng)有4人回復(fù)
-
330分求調(diào)劑
已經(jīng)有3人回復(fù)
-
299求調(diào)劑
已經(jīng)有8人回復(fù)
-
一志愿北京理工大學本科211材料工程294求調(diào)劑
已經(jīng)有6人回復(fù)
-
300求調(diào)劑，材料科學英一數(shù)二
已經(jīng)有8人回復(fù)
-
招收生物學/細胞生物學調(diào)劑
已經(jīng)有5人回復(fù)
-
070305高分子化學與物理 304分求調(diào)劑
已經(jīng)有7人回復(fù)
-
289求調(diào)劑
已經(jīng)有13人回復(fù)
-
一志愿哈爾濱工業(yè)大學材料與化工方向336分
已經(jīng)有9人回復(fù)
» 本主題相關(guān)價值貼推薦，對您同樣有幫助:
- 在gromacs中運行mdrun命令時出錯
已經(jīng)有10人回復(fù)
- 【討論】gromacs 并行 mpirun
已經(jīng)有4人回復(fù)
2樓2013-03-12 10:18:05
相關(guān)版塊跳轉(zhuǎn)
我要訂閱樓主 mengsk 的主題更新
| 2 | 1/1 | 返回列表 |
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[碩博家園] 求調(diào)劑 有機化學考研356分 +3 | Nadiums 2026-03-25 | 4/200 |
|
|---|---|---|---|---|
|
|
[考研] 0703 化學 求調(diào)劑，一志愿山東大學 342 分 +4 | Shern—- 2026-03-28 | 4/200 |
|
|
[考研] 316求調(diào)劑 +7 | 江辭666 2026-03-26 | 7/350 |
|
|
|
[考研] 求調(diào)劑 +7 | 爭取九點睡 2026-03-28 | 8/400 |
|
|
|
[考研] 315求調(diào)劑 +4 | akie... 2026-03-28 | 5/250 |
|
|
|
[考研] 一志愿華理，數(shù)一英一285求A區(qū)調(diào)劑 +8 | AZMK 2026-03-25 | 12/600 |
|
|
|
[考研] 283求調(diào)劑 +3 | A child 2026-03-28 | 3/150 |
|
|
|
[考研] 復(fù)試調(diào)劑 +3 | raojunqi0129 2026-03-28 | 3/150 |
|
|
|
[考研] 一志愿北京工業(yè)大學，324分求調(diào)劑 +4 | 零八# 2026-03-28 | 4/200 |
|
|
|
[考研] 320分，材料與化工專業(yè)，求調(diào)劑 +9 | 一定上岸aaa 2026-03-27 | 13/650 |
|
|
|
[考研] 266分，求材料冶金能源化工等調(diào)劑 +7 | 哇呼哼呼哼 2026-03-27 | 9/450 |
|
|
|
[考研] 張芳銘-中國農(nóng)業(yè)大學-環(huán)境工程專碩-298 +4 | 手機用戶 2026-03-26 | 4/200 |
|
|
|
[考研] 295求調(diào)劑 +5 | 1428151015 2026-03-27 | 6/300 |
|
|
|
[考研] 材料與化工085600，總分304，本科有兩篇sci參與，求調(diào)劑 +10 | 幸運的醬醬 2026-03-22 | 12/600 |
|
|
|
[考研] 考研化學308分求調(diào)劑 +10 | 你好明天你好 2026-03-23 | 12/600 |
|
|
|
[考研] 281求調(diào)劑 +3 | 亞克西good 2026-03-26 | 5/250 |
|
|
|
[考研] 機械學碩310分，數(shù)一英一，一志愿211本科雙非找調(diào)劑信息 +3 | @357 2026-03-25 | 3/150 |
|
|
|
[考研] 334分 一志愿武理 材料求調(diào)劑 +4 | 李李不服輸 2026-03-26 | 4/200 |
|
|
|
[考研] 接收2026碩士調(diào)劑(學碩+專碩) +4 | allen-yin 2026-03-23 | 6/300 |
|
|
|
[考研] 280分求調(diào)劑 一志愿085802 +4 | PUMPT 2026-03-22 | 7/350 |
|