On Sun, Feb 01, 2015, Fatemeh Sadat Alavi wrote:
>
> I am studying on molecular dynamics of heme!
> I need force field for this group.
> I calculated ESP charge by Gaussian and file with frcmod format by amber
> tools.
> For missing atom, I should known Atom types!I understand when I used
> antechamber,I have atom type belong parm99.dat!
I think we need more information. What is the missing atom? When you say you
made a "frcmod by amber tools", what did you atually do?
> I want to use bryce force field of heme,but It is belong parm91.dat .
> How do I match together ?!
I am confused here: the heme force fields that Richard Bryce collects
(you should not blame or credit him with the content) should have frcmod files
that contain the needed parameters. If you are failing to find some
parameters, we need to know exactly what you did that led you think parameters
are missing.
(Basically, we need a lot more information to be of much help.)
....dac
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Received on Sun Feb 01 2015 - 06:00:04 PST
