AMBER Archive (2008)

Subject: AMBER: reg-antichamber run

From: balaji nagarajan (balaji_sethu_at_hotmail.com)
Date: Wed Dec 10 2008 - 11:08:17 CST

dear amber .,
I tried in building the parameter and topology for
cobalt(III) hexammine (3+)
using antichamber .
I build the structure using insight and optimised it
and took the
coordinates and run the antichamber as it said in
tutorial 5
it say the following
error

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
    Be cautious, use a large value of PSCUTOFF (>10) will significantly increase the computer time
Error: cannot run "/home/balaji/AMBERHOME/amber9/exe/bondtype -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac -j full" in judgebondtype() of antechamber.c properly, exit

as i am new to this
help out to solve this ., and sugest me your ideas
thanks in advance !
balaji.n.
UOM

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