[gmx-users] 1-4 scaling factor

Mark Abraham mark.j.abraham at gmail.com
Fri May 17 10:30:29 CEST 2013


See chapter 5

Mark
On May 17, 2013 8:25 AM, "tarak karmakar" <tarak20489 at gmail.com> wrote:

> Dear All,
>
> How do I incorporate the 1-4 scaling factor ( e.g., 1.0 for CHARMM and
> 0.833 in AMBER) in gromacs? Or, is it internally taken care of by gromacs
> while specifying the -ff flag?
>
> NAMD input file uses the following keyword
>
> 1-4scaling              1.0 (for charmm force field)
>
>
> Thanks,
> Tarak
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