REPL_RESIDUE

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.


\begin{picture}(10,10)(20,1)
\put(0,0){\line(1,0){470}}
\end{picture}



procacci 2021-12-29