Hi
I am a research scholar working in computational Physics.while I was
preparing the prep and frcmod files an error occurred which I have pasted
below.
I dont know how to how to tackle the problem.I double checked the input
structure but I couldnt find any error.
Will u please help me?
This is the error message
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 PSCUTOFF in define.h and recompile bondtype.c
Be cautious, use a large value of PSCUTOFF (>100) will significantly
increase the computation time
Error: cannot run "/opt/amber11/bin/bondtype -j full -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac" in
judgebondtype() of antechamber.c properly, exit
Aparna.P
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Received on Fri Feb 22 2013 - 03:30:02 PST
