Hi friends,
when i try to connect pdb to mol2 using antechamber, i am facing this
error as follows
bala.bala-desktop:~/Desktop$ /home/bala/Tools/amber11/exe/antechamber -i
plp_new.pdb -fi pdb -o plp.mol2 -fo mol2 -c bcc -s 2
Running: /home/bala/Tools/amber11//bin/bondtype -j full -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac
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.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Aug 27 2013 - 05:30:03 PDT
