| NAME
REPL_RESIDUE – Replace or add the topology of a certain residue |
SYNOPSIS
REPL_RESIDUE
...
...
END
|
| DESCRIPTION
The command REPL_RESIDUE opens an environment which includes the same series of commands and subcommands accepted by the general formatted topology file described in Sec. 10.3. |
EXAMPLES
REPL_RESIDUE
RESIDUE gly ( Total Charge = 0.0 )
atoms
group
n n -0.41570
hn h 0.27190
group
ca ct -0.02520
ha1 h1 0.06980
ha2 h1 0.06980
group
c c 0.59730
o o -0.56790
end
bonds
n hn n ca o c c ca
ca ha1 ca ha2
end
imphd
-c ca n hn ca +n c o
end
termatom n c
backbone n ca c
RESIDUE_END
END
Replace or add the topology for residue gly.
|