Re: [AMBER] question about mass card of frcmod file

From: Bill Ross <>
Date: Thu, 29 Apr 2010 16:07:25 -0700 (PDT)

> 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

      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


         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.


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Received on Thu Apr 29 2010 - 16:30:03 PDT
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