On Mon, May 12, 2014, Jinfeng Huang wrote:
>
> I use the AmberTools 1.5 to generate the parameters of a
> non-standard amino acid residue , but I don't know what force field
> I used. What I did are as follows. Firstly, I use the " antechamber
> ...... -at amber " command to create a prep file. Then I use the
> "parmchk -i *.prep -f prepi -o *.frcmod " command to receive a
> frcmod file.
> I confused what's the force field used in my frcmod file. Any help
> is highly appreciated!
The force field you will be using depends upon what you ask LEaP to load;
this would ordinarily be something like ff14SB (at least for the current
release of Amber). In addition, any parameters that are in the prmchk file
would be added to these. Such special parameters don't have a generic name;
you would just have describe how you obtained them.
...good luck...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon May 12 2014 - 05:00:04 PDT
