[gmx-users] rvdw and rcoulomb
pall.szilard at gmail.com
Mon Mar 12 16:36:55 CET 2018
Note that rcoulomb, unlike rvdw, when using a PME long-range
electrostatics, is tunable (together with the PME grid spacing).
On Mon, Mar 12, 2018 at 3:43 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 3/11/18 7:33 PM, Ahmed Mashaly wrote:
>> Dear users,
>> Can I reduce the rvdw and rcoulomb during MD from 1.2 to 1? Kind
> These values are a function of the force field and are not freely tunable.
> Justin A. Lemkul, Ph.D.
> Assistant Professor
> Virginia Tech Department of Biochemistry
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