24小时热门版块排行榜

>论坛更新日志 (4848)
>虫友互识 (380)
>导师招生 (370)
>论文投稿 (229)
>休闲灌水 (199)
>文献求助 (181)
>学术会议 (148)
>博后之家 (115)
>硕博家园 (69)
>考博 (66)
>基金申请 (59)
>找工作 (37)
>公派出国 (32)
>考研 (31)
>教师之家 (27)
>论文道贺祈福 (22)

返回列表

caohao1988

新虫 (初入文坛)

应助: 1 (幼儿园)
金币: 430.4
帖子: 49
在线: 14.6小时
虫号: 1926701
注册: 2012-08-06
专业: 生物化学

[求助] 向各位大神求助！AMBER11 tleap中导入力场出错！

使用AMBER11 tleap导入力场时出错，程序弹出~期待各位大神给与指导，不胜感激！操作过程如下：

[docking@docking amber]$ tleap
-I: Adding /usr/local/amber11/dat/leap/prep to search path.
-I: Adding /usr/local/amber11/dat/leap/lib to search path.
-I: Adding /usr/local/amber11/dat/leap/parm to search path.
-I: Adding /usr/local/amber11/dat/leap/cmd to search path.

Welcome to LEaP!
(no leaprc in search path)
> source leaprc.ff10
----- Source: /usr/local/amber11/dat/leap/cmd/leaprc.ff10
----- Source of /usr/local/amber11/dat/leap/cmd/leaprc.ff10 done
Log file: ./leap.log
Loading parameters: /usr/local/amber11/dat/leap/parm/parm10.dat
Reading title:
PARM99 + frcmod.ff99SB + frcmod.parmbsc0
Loading library: /usr/local/amber11/dat/leap/lib/all_amino10.lib
/usr/local/amber11/exe/tleap: line 17: 4047 段错误 (core dumped) $AMBERHOME/bin/teLeap -I$AMBERHOME/dat/leap/prep -I$AMBERHOME/dat/leap/lib -I$AMBERHOME/dat/leap/parm -I$AMBERHOME/dat/leap/cmd $*
[docking@docking amber]$

回复此楼