hi,
i am trying to use antechamber to get a prepi file of my molecule,and i input "antechamber -fi gout -fo prepi -i ligand.out -o ligand.prepi -c resp -rn OSC -rf OSC.res -pf y".
i got this error message:
Cannot successfully assign bond type for this molecule, please :
(1) double check the structure (the connectivity) and/or
(2) adjust atom valence penalty parameters in APS.DAT, and/or
(3) increase MAXVASTATE in define.h and recompile bondtype.C
The number of the ESP exceeds the MAXESP(20000),extend the size and reallocate the memory
Amber8 Module: resp
Amber8 Module: resp
I would appreciate if I could be guided to solve this problem.
Thanks
emilia wu
emiliawu.dicp.ac.cn
2005-04-04
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Received on Mon Apr 04 2005 - 15:53:01 PDT
