Hello
I got a problem when I try to produce ligand prep file using antechamber
in AMBER8.0
The following is what I did
antechamber -i inb.pdb -fi pdb -o inb.prepin -fo prepi -c bcc -s 2
the following error I got
Warning: the assigned bond types may be wrong, 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
(4) increase PSCUTOFF in define.h and recompile bondtype.C
I am attaching input file.
Can anyone tell me how to deal with it? Thank you in advance.
Best regard,
JANI VINOD
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jan 06 2008 - 06:07:02 PST
