Hi, when i used antechamber to create a topology file for cyclospoorine
(cyclopeptide with metilated residues...) it had run the command and I 've
got such "warnings" for several non-standart residues of this peptide:
--------------------------------------
antechamber -i d_h.mol2 -fi mol2 -o d_a.mol2 -fo mol2 -c bcc -s 2
Running: /opt/software/amber/amber11//bin/bondtype -j full -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac
-- Judge bond type for Residue 1 with ID of 1 and Name of ...
-- Judge bond type for Residue 2 with ID of 2 and Name of ...
...
Running: /opt/software/amber/amber11//bin/atomtype -i ANTECHAMBER_AC.AC0 -o
ANTECHAMBER_AC.AC -p gaff
Total number of electrons: 694; net charge: 0
Running: /opt/software/amber/amber11//bin/sqm -O -i sqm.in -o sqm.out
---------------------------------------
Is it critical? I didn't find any explanation of this error in mailing
list... Sorry for disturb! And Thank You!
--
****
*
Nemo me impune lacessit*
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Received on Sun Oct 16 2011 - 15:30:02 PDT
