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<++> mdgx: A molecular dynamics engine in the AMBER suite of programs      <++>
<++>                                                                       <++>
<++> Written by David S. Cerutti, Case Group (2009 - 2020)                 <++>
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Run on Sat Jun  5 08:38:03 2021
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INPUT LINE TEXT:

/home/dcerutti/amber20_src/bin/mdgx -O -i convert.mdin 


INPUT FILE TEXT:

&files
  -p     tip3p.prmtop
  -c     tip3p.inpcrd
  -xpt   tip4p.rules
&end

&parmedit
  NewPrmtop   tip4pew.prmtop,
  NewInpcrd   tip4pew.inpcrd,
&end

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(1.) Printing System Topology.

 - Checking chirality of standard amino acids.
 - Checking for omitted disulfides.
 - Checking for (nonstandard) Lennard-Jones combining rules.
 - Geometric combining rules are in effect.
 - No problems with the topology detected.

 - Checking net charges per residue:
 - All residues have integral net charges.

 Extra points were added to this topology.

     Frame Type    Type Alias    Inherited     Added
     ----------   ------------   ---------   ---------
       Flex-3       FlexDis3            0         612

 Details of added extra points follow.
   Example format:
     [Extra Point] <Residue> <Res. No.> -- <Atom Name> <Atom No.>
     [Parent Atom] <Residue> <Res. No.> -- <Atom Name> <Atom No.>

 Virtual Site ID    0 ( 612 instances):
   Frame type:   Flex-3 / FlexDis3
   Charge:      -1.04844
   LJ-Sigma:     0.00000
   LJ-Epsilon:   0.00000
   Examples:   [ WAT      0 -- EPW       3 ] -> [ WAT      0 -- O         0 ]
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