friends,
I was trying to generate force field for pyridoxal phosphate using
antechamber program for last one week, i tried my level best but i'm not
able to generate. could you please me how to generate. when i'm running
antechamber command called
antechamber -fi mol2 -fo ac -i plp_h.mol2 -o plp_h.ac -c mul
i am getting a error meassages which is given below:
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 "/home/bala/Tools/amber11//bin/bondtype -j full -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac" in judgebondtype()
of antechamber.c properly, exit
please help me out how to fix this problem. i have attaching my pyridoxal
phosphate pdb with this mail.
Thanks in advance.
--
Thanks & Regards,
G.L.Balasubramani
(Project Assistant),
c/o.Dr.S.Kumaran,
Structural & Quatitative Biology Lab, GNRPC,
Institute of Microbial Technology (CSIR),
Sector 39-A, Chandigarh, India-160036.
ph : +91-9041280408/8284860166
off : 0172-6665475
--
Thanks & Regards,
G.L.Balasubramani
(Project Assistant),
c/o.Dr.S.Kumaran,
Structural & Quatitative Biology Lab, GNRPC,
Institute of Microbial Technology (CSIR),
Sector 39-A, Chandigarh, India-160036.
ph : +91-9041280408/8284860166
off : 0172-6665475
______________________________________________________________________
सूक्ष्मजीव प्रौद्योगिकी संस्थान (वैज्ञानिक औद्योगिक अनुसंधान परिषद)
Institute of Microbial Technology (A CONSTITUENT ESTABLISHMENT OF CSIR)
सैक्टर 39 ए, चण्डीगढ़ / Sector 39-A, Chandigarh
पिन कोड/PIN CODE :160036
दूरभाष/EPABX :0172 6665 201-202
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- application/vnd.palm attachment: plp.pdb
Received on Mon Dec 03 2012 - 04:30:01 PST
