标题: 求助ONIOM建系统l120报错either user# or symol already defined [打印本页] 作者Author: shouwu_he 时间: 2024-1-18 13:22 标题: 求助ONIOM建系统l120报错either user# or symol already defined 最近在学习怎么使用ONIOM，我的体系是CYP450和一个药物小分子，现在是在进行reactant compound的optimization，在加了MM参数以后一直出现either user# or symbol already defined的错误，这里贴出来看一看
(Enter /share/home/grp-hiraoh/apps/g16c01_avx2/g16/l120.exe)
SvSCFP is copying densities from files 528 and 530 to 603.
ONIOM: saving gridpoint 2
ONIOM: restoring gridpoint 17
ONIOM: generating point 1 -- low level on model system.
Generating MM parameters for model system.
Read MM parameter file:
Either user# or symbol already defined
Error termination via Lnk1e in /share/home/grp-hiraoh/apps/g16c01_avx2/g16/l120.exe