Dear all,
I used antechamber to get my prep file. But when I load the prep file into the
xleap it always give the following error messages. Does anybody meet this kind
of problem? Would you please anyone give me some help? Thanks a lot in advance.
-I: Adding /usr/progs/amber/dat/leap/prep to search path.
-I: Adding /usr/progs/amber/dat/leap/lib to search path.
-I: Adding /usr/progs/amber/dat/leap/parm to search path.
-I: Adding /usr/progs/amber/dat/leap/cmd to search path.
!FATAL ERROR----------------------------------------
!FATAL: In file [atom.c], line 443
!FATAL: Message: bondAtomProblem found
!
!ABORTING.
> loadAmberPrep "/usr/people/ljin/PROJECT2/prep/GLC/A/NS/temp.prep"
Loading Prep file: /usr/people/ljin/PROJECT2/prep/GLC/A/NS/temp.prep
Bond: Maximum coordination exceeded on .R<4SN 1>.A<H62 8>
-- setting atoms pert=true overrides default limits
ATOMS NOT BONDED: .R<4SN 1>.A<H32 9> .R<4SN 1>.A<H62 8>
Lan
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Received on Tue Feb 03 2004 - 09:53:00 PST
