AMBER Archive (2009)

Subject: Re: [AMBER] my FF

• Previous message: chenquan: "[AMBER] mean of character in frcmod.ff03"
• In reply to: m m: "[AMBER] my FF"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

On Tue, Apr 14, 2009, m m wrote:
>
> parmchk -i molecule.prepi -fi prepi -o molecule.frcmod
> xleap -s -f $AMBERHOME/dat/leap/cmd/leaprc.ff03
> >source leaprc.gaff
> >loadamberprep molecule.prepi
> >loadamberparams molecule.frcmod
> >saveamberparm MOL moecule.prmtop molecule.inpcrd
> My question is : What is my FF (ff03 or general amber ff)

Atoms with upper case atom types (presumably from proteins or nucleic
acids) will use ff03; atoms with lower-case atom types (from small
molecules, or whatever you fed to antechamber) will use gaff.

...dac

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

• Previous message: chenquan: "[AMBER] mean of character in frcmod.ff03"
• In reply to: m m: "[AMBER] my FF"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]