> OA 16.00 0.465 same as gaff os and parm99
> Can somesone explain to me what is the meaning of the second
> number on mass card
Here's how to find out:
Googling 'amber file format', choosing frcmod from the page
http://ambermd.org/formats.html#frcmod
MASS follow this card by card of type - 2 - listed in the
unit 10 instructions above.
Going to section 2 above:
- 2 - ***** INPUT FOR ATOM SYMBOLS AND MASSES *****
KNDSYM , AMASS, ATPOL
FORMAT(A2,2X,F10.2x,f10.2)
KNDSYM The unique atom symbol used in the system.
AMASS Atomic mass of the center having the symbol "KNDSYM".
ATPOL The atomic polarizability for each atom (in A**3)
This is the type of polarizability used in sander
and gibbs. No parameters are supplied for this since
the feature is still in development (Amber 4.1).
NOTE: All the unique atomic symbols and their masses must
be read. The input is terminated by a blank card.
Bill
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Received on Thu Apr 29 2010 - 16:30:03 PDT
