Slides

Antechamber
– rapid genera4on of topology files for use with the AMBER
simula4on programs
• Automa4cally iden4fy bond and atom types
• Judge atomic equivalence
• Generate residue topology files
• Find missing force field parameters and supply reasonable sugges4ons
– antechamber executes the following programs
(all provided with AmberTools):
• divcon, atomtype, am1bcc, bondtype, espgen, respgen, prepgen
-­‐i
-­‐fi
-­‐c
-­‐o
-­‐nc
-­‐m
-­‐fo
-­‐rn
inpuƒile name
format inpuƒile [gout=Gaussian output, gzmat, pdb, mdl, ...]
resp = use RESP charge model [Mulliken, bcc, ...]
output filename
net molecular charge (int)
mul4plicity (2S+1), default=1
output file format [prepi = AMBER Prep (int)]
residue name (unit), if not available in the input file (default: mol)