 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 2 | 1/1 | 返回列表 |
| 查看: 2885 | 回復(fù): 1 | ||
zmrright金蟲 (著名寫手)
|
[求助]
Forcite 退火出錯(cuò)
|
|
Forcite ------- Task : Anneal Version : 7.0 Build date : Nov 12 2013 Host : 305-PC Threads : Parallel 6 Operating system : Windows Task started : Mon Feb 17 16:18:27 2014 ---- Anneal parameters ---- Number of anneal cycles : 1 Initial temperature : 300.00 K Mid-cycle temperature : 500.00 K Heating ramps per cycle : 10 Dynamics steps per ramp : 400 Total number of dynamics steps : 8000 Optimize annealed structure : False ---- Dynamics parameters ---- Ensemble : NVT Control method : Nose Q ratio : 0.0100000 Timestep : 2.00 fs Initial velocities : Random Random number seed : 1392621512 ---- Energy parameters ---- Forcefield : COMPASS (Version 2.8) Charges : Forcefield assigned Electrostatic terms: Summation method : Ewald Accuracy : 0.001 kcal/mol Buffer width : 0.5 A van der Waals terms: Summation method : Atom based Truncation method : Cubic spline Cutoff distance : 12.5 A Spline width : 1 A Long range correction : YES Buffer width : 0.5 A Unable to calculate the ForcefieldType for particle 'Mo1' The typing engine has been unable to assign a forcefield type. This is because the typing engine has found no typing rules that match (except ?) Unable to calculate the ForcefieldType for particle 'Mo1' The typing engine has been unable to assign a forcefield type. This is because the typing engine has found no typing rules that match (except ?) Unable to calculate the ForcefieldType for particle 'Mo1' The typing engine has been unable to assign a forcefield type. This is because the typing engine has found no typing rules that match (except ?) Unable to calculate the ForcefieldType for particle 'Mo1' The typing engine has been unable to assign a forcefield type. This is because the typing engine has found no typing rules that match (except ?) Unable to calculate the ForcefieldType for particle 'Mo1' The typing engine has been unable to assign a forcefield type. This is because the typing engine has found no typing rules that match (except ?) Unable to calculate the ForcefieldType for particle 'Mo1' The typing engine has been unable to assign a forcefield type. This is because the typing engine has found no typing rules that match (except ?) Unable to calculate the ForcefieldType for particle 'Mo1' The typing engine has been unable to assign a forcefield type. This is because the typing engine has found no typing rules that match (except ?) Unable to calculate the ForcefieldType for particle 'Mo1' The typing engine has been unable to assign a forcefield type. This is because the typing engine has found no typing rules that match (except ?) Unable to calculate the ForcefieldType for particle 'Mo1' The typing engine has been unable to assign a forcefield type. This is because the typing engine has found no typing rules that match (except ?) Could not calculate the forces. The typing engine has failed to calculate a forcefield type for 9 particles. Try using a different forcefield or assign types manually (and remember to turn off the automatic calculation of forcefield types). Task terminated : Mon Feb 17 16:18:34 2014 Total CPU time used by Forcite: 1 seconds (0.51s) Termination status : Error 剛?cè)腴T，求指點(diǎn)下。。。 |
回復(fù)此樓» 猜你喜歡
材料與化工（0856）304求 B區(qū) 調(diào)劑
已經(jīng)有3人回復(fù)
-
268求調(diào)劑
已經(jīng)有8人回復(fù)
-
265求調(diào)劑
已經(jīng)有14人回復(fù)
-
350 本科985求調(diào)劑，求老登收留
已經(jīng)有3人回復(fù)
-
【考研調(diào)劑】化學(xué)專業(yè) 281分，一志愿四川大學(xué)，誠(chéng)心求調(diào)劑
已經(jīng)有9人回復(fù)
-
初試 317
已經(jīng)有3人回復(fù)
-
279分求調(diào)劑 一志愿211
已經(jīng)有15人回復(fù)
-
286求調(diào)劑
已經(jīng)有4人回復(fù)
-
279求調(diào)劑
已經(jīng)有4人回復(fù)
-
求調(diào)劑
已經(jīng)有3人回復(fù)
» 本主題相關(guān)價(jià)值貼推薦，對(duì)您同樣有幫助:
- 聚合物膜的退火溫度
已經(jīng)有6人回復(fù)
- 怎樣用forcite畫徑向分布函數(shù)
已經(jīng)有14人回復(fù)
- 關(guān)于MS forcite 模塊退火失敗
已經(jīng)有4人回復(fù)
- 求助AZO薄膜退火的問(wèn)題，退火后面電阻反而升高
已經(jīng)有7人回復(fù)
- 關(guān)于火焰溫度測(cè)定的問(wèn)題，請(qǐng)教蟲蟲
已經(jīng)有8人回復(fù)
- 新人求助，discover 和 forcite的異同
已經(jīng)有7人回復(fù)
- forcite做動(dòng)力學(xué)計(jì)算出錯(cuò)了，哪位幫忙看一下是什么原因
已經(jīng)有11人回復(fù)
- MS程序的forcite模塊中不同約束差別太大是怎么回事？
已經(jīng)有22人回復(fù)
- Flory-Huggins參數(shù)和混合能的正負(fù)問(wèn)題
已經(jīng)有10人回復(fù)
- 聚合物鏈建晶胞時(shí)，Amorphous Cell模塊沒(méi)法用，求解釋
已經(jīng)有9人回復(fù)
- 有用ANSYS研究玻璃材料的么 交流下！
已經(jīng)有16人回復(fù)
- 【求助】band structrue 出錯(cuò)
已經(jīng)有13人回復(fù)
- 【求助】MUSIC的MD模塊計(jì)算甲烷在IRMOF-1上的擴(kuò)散系數(shù)
已經(jīng)有11人回復(fù)
- 【求助】THF干燥后剩余的鈉塊和二苯甲酮溶液怎么處理
已經(jīng)有13人回復(fù)
- 【求助】42crmo、9sicr的退火、正火工藝
已經(jīng)有5人回復(fù)
- 【交流】聚合物沉淀
已經(jīng)有25人回復(fù)
- 【求助】合成氨過(guò)程模擬 結(jié)果錯(cuò)誤，怎么辦？并問(wèn)下如何修改收斂次數(shù)！【已解決】
已經(jīng)有11人回復(fù)
- 【其他】開個(gè)帖子討論下MS中sorption模塊的運(yùn)用
已經(jīng)有13人回復(fù)
- 【求助】formchk出錯(cuò)
已經(jīng)有23人回復(fù)
- 【求助】水盒子問(wèn)題
已經(jīng)有17人回復(fù)
- 【求助】做MD時(shí)，溶劑盒子應(yīng)該加多大算合適呢？
已經(jīng)有6人回復(fù)
- 【求助】請(qǐng)教高手Forcite聚合物退火問(wèn)題
已經(jīng)有5人回復(fù)
- 【求助】下列聚合物中，沒(méi)有Tf的聚合物是 PE,UHWPE還是PVC?
已經(jīng)有7人回復(fù)
- 【求助】Rsoft公司軟件中適合模擬PCF模式及色散特性的模塊是哪個(gè)
已經(jīng)有6人回復(fù)
zmrright
金蟲 (著名寫手)
- 應(yīng)助: 49 (小學(xué)生)
- 金幣: 3459.8
- 散金: 706
- 紅花: 9
- 帖子: 1975
- 在線: 299.1小時(shí)
- 蟲號(hào): 828781
- 注冊(cè): 2009-08-16
- 性別: GG
- 專業(yè): 凝聚態(tài)物性 II ：電子結(jié)構(gòu)
2樓2014-02-17 16:33:27
相關(guān)版塊跳轉(zhuǎn)
我要訂閱樓主 zmrright 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 | |
|---|---|---|---|---|
|
[考研] 330求調(diào)劑0854 +3 | assdll 2026-03-21 | 3/150 |
|
|---|---|---|---|---|
|
|
[考研] 一志愿西安交通大學(xué)材料工程專業(yè) 282分求調(diào)劑 +7 | 楓橋ZL 2026-03-18 | 9/450 |
|
|
|
[考研] 306求調(diào)劑 +4 | chuanzhu川燭 2026-03-18 | 4/200 |
|
|
|
[考研] 316求調(diào)劑 +6 | 梁茜雯 2026-03-19 | 6/300 |
|
|
[考研] 一志愿山大07化學(xué) 332分 四六級(jí)已過(guò) 本科山東雙非 求調(diào)劑！ +3 | 不想理你 2026-03-16 | 3/150 |
|
|
|
[考研] 085700資源與環(huán)境308求調(diào)劑 +12 | 墨墨漠 2026-03-18 | 13/650 |
|
|
|
[考研] 324分 085600材料化工求調(diào)劑 +4 | llllkkkhh 2026-03-18 | 4/200 |
|
|
|
[考研]
 材料與化工 322求調(diào)劑
+4
|
然11 2026-03-19 | 4/200 |
|
|
|
[考研] 本人考085602 化學(xué)工程 專碩 +19 | 不知道叫什么！ 2026-03-15 | 21/1050 |
|
|
|
[考研] 353求調(diào)劑 +3 | 拉鉤不許變 2026-03-20 | 3/150 |
|
|
|
[考研] 261求B區(qū)調(diào)劑，科研經(jīng)歷豐富 +3 | 牛奶很忙 2026-03-20 | 4/200 |
|
|
|
[考研] 求調(diào)劑 +3 | eation27 2026-03-20 | 3/150 |
|
|
|
[考研] 廣西大學(xué)家禽遺傳育種課題組2026年碩士招生（接收計(jì)算機(jī)專業(yè)調(diào)劑） +3 | 123阿標(biāo) 2026-03-17 | 3/150 |
|
|
|
[考研] 招收調(diào)劑碩士 +4 | lidianxing 2026-03-19 | 12/600 |
|
|
|
[考研] 一志愿中國(guó)海洋大學(xué)，生物學(xué)，301分，求調(diào)劑 +5 | 1孫悟空 2026-03-17 | 6/300 |
|
|
|
[考研] 0703化學(xué)調(diào)劑 +10 | 妮妮ninicgb 2026-03-15 | 14/700 |
|
|
|
[考研] 【同濟(jì)軟件】軟件（085405）考研求調(diào)劑 +3 | 2026eternal 2026-03-18 | 3/150 |
|
|
|
[考研] 收復(fù)試調(diào)劑生 +4 | 雨后秋荷 2026-03-18 | 4/200 |
|
|
|
[碩博家園] 湖北工業(yè)大學(xué) 生命科學(xué)與健康學(xué)院-課題組招收2026級(jí)食品/生物方向碩士 +3 | 1喜春8 2026-03-17 | 5/250 |
|
|
|
[考研] 070305求調(diào)劑 +3 | mlpqaz03 2026-03-14 | 4/200 |
|